# `pubchem__pubchem_get_compound_details`
**Get Compound Details**
Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, therapeutic use), known synonyms, drug-likeness assessment (Lipinski/Veber rules), and/or pharmacological classification (FDA classes, MeSH classes, ATC codes). Accepts up to 100 CIDs per call.
- Server: [PubChem](https://gateway.mcpharbor.dev/docs/servers/pubchem) (`dev.mcpharbor.gateway/pubchem`)
- Price per call: $0.0001 (100 micro-USD); only tools/call is charged
- Endpoint: `https://gateway.mcpharbor.dev/mcp` or `https://gateway.mcpharbor.dev/mcp/pubchem`
- Upstream tool: exposed by the provider; called through this gateway as `pubchem__pubchem_get_compound_details`
- Provider terms: (verified 2026-09-19)
- Upstream API documentation:
- Rate limit: 350 requests per minute
- Attribution required: Attribution to source recommended, not mandatory
## Parameters
- `cids` (array, required): PubChem Compound IDs to fetch (1-100). Resolve from names/SMILES with pubchem_search_compounds.
- `descriptionOffset` (integer, optional): Zero-based index of the first description to return within each compound's description list. The same offset is applied to every compound in the batch. Pass the nextDescriptionOffset from a previou... Default: `0`.
- `includeClassification` (boolean, optional): Include pharmacological classification: FDA Established Pharmacologic Classes, mechanisms of action, MeSH classes, and ATC codes. Fetched only for the first 10 CIDs in the batch; remaining CIDs ret... Default: `false`.
- `includeDescription` (boolean, optional): Include textual descriptions (pharmacology, mechanism, therapeutic use) attributed by source. Well-studied compounds have many overlapping summaries — paged via descriptionOffset/maxDescriptions. F... Default: `false`.
- `includeDrugLikeness` (boolean, optional): Compute drug-likeness assessment: Lipinski Rule of Five (MW, XLogP, HBD, HBA) and Veber rules (TPSA, rotatable bonds). Computed from the returned properties, so it adds no latency. Default: `false`.
- `includeSynonyms` (boolean, optional): Fetch known names and synonyms (trade names, systematic names, registry numbers), paged via synonymOffset/maxSynonyms. Fetched for every found CID in the batch. Slower for large CID lists. Default: `false`.
- `maxDescriptions` (integer, optional): Max number of distinct description entries per compound per page (1-20). PubChem returns near-duplicate summaries from many depositors; duplicates are collapsed before this cap applies. Default: 3. Default: `3`.
- `maxSynonyms` (integer, optional): Max synonyms returned per compound per page (1-100). PubChem lists hundreds for common drugs; use synonymOffset to reach the ones past this page. Default: 20. Default: `20`.
- `properties` (array, optional): Properties to retrieve. Defaults to a core set: MolecularFormula, MolecularWeight, IUPACName, CanonicalSMILES, IsomericSMILES, InChIKey, XLogP, TPSA, HBondDonorCount, HBondAcceptorCount, RotatableB...
- `synonymOffset` (integer, optional): Zero-based index of the first synonym to return within each compound's synonym list. The same offset is applied to every compound in the batch. Pass the nextSynonymOffset from a previous call to re... Default: `0`.
## Example call
Request headers and body:
```http
POST /mcp HTTP/1.1
Host: gateway.mcpharbor.dev
Authorization: Bearer
Content-Type: application/json
Accept: application/json, text/event-stream
MCP-Protocol-Version: 2026-07-28
Mcp-Method: tools/call
Mcp-Name: pubchem__pubchem_get_compound_details
```
```json
{
"id": 1,
"jsonrpc": "2.0",
"method": "tools/call",
"params": {
"_meta": {
"io.modelcontextprotocol/clientCapabilities": {},
"io.modelcontextprotocol/clientInfo": {
"name": "example-agent",
"version": "1.0.0"
},
"io.modelcontextprotocol/protocolVersion": "2026-07-28"
},
"arguments": {
"cids": []
},
"name": "pubchem__pubchem_get_compound_details"
}
}
```
A successful response:
```json
{
"id": 1,
"jsonrpc": "2.0",
"result": {
"_meta": {
"dev.mcpharbor.gateway/call": {
"chargedMicroUsd": 100,
"id": ""
}
},
"content": [
{
"text": "",
"type": "text"
}
],
"resultType": "complete"
}
}
```
This call costs $0.0001 (100 micro-USD). Reading this page and listing the tool cost nothing.
The `dev.mcpharbor.gateway/call` record in the result is the receipt for that charge. Each
POST is metered separately, so sending the same call again buys another one: see
[agent.txt](https://gateway.mcpharbor.dev/agent.txt), section 7, before retrying.
## Attribution
This provider requires the attribution below wherever you use results from its tools.
Reproduce it verbatim:
> Attribution to source recommended, not mandatory
## Tool definition
Exactly as `tools/list` returns it (free):
```json
{
"_meta": {
"dev.mcpharbor.gateway/pricing": {
"currency": "USD",
"pricePerCallMicroUsd": 100
}
},
"annotations": {
"idempotentHint": true,
"openWorldHint": true,
"readOnlyHint": true
},
"description": "Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, therapeutic use), known synonyms, drug-likeness assessment (Lipinski/Veber rules), and/or pharmacological classification (FDA classes, MeSH classes, ATC codes). Accepts up to 100 CIDs per call.",
"inputSchema": {
"$schema": "https://json-schema.org/draft/2020-12/schema",
"additionalProperties": false,
"properties": {
"cids": {
"description": "PubChem Compound IDs to fetch (1-100). Resolve from names/SMILES with pubchem_search_compounds.",
"items": {
"exclusiveMinimum": 0,
"maximum": 9007199254740991,
"type": "integer"
},
"maxItems": 100,
"minItems": 1,
"type": "array"
},
"descriptionOffset": {
"default": 0,
"description": "Zero-based index of the first description to return within each compound's description list. The same offset is applied to every compound in the batch. Pass the nextDescriptionOffset from a previous call to read the following page. Default: 0.",
"maximum": 9007199254740991,
"minimum": 0,
"type": "integer"
},
"includeClassification": {
"default": false,
"description": "Include pharmacological classification: FDA Established Pharmacologic Classes, mechanisms of action, MeSH classes, and ATC codes. Fetched only for the first 10 CIDs in the batch; remaining CIDs return without classification and are listed in the response's skippedCids.",
"type": "boolean"
},
"includeDescription": {
"default": false,
"description": "Include textual descriptions (pharmacology, mechanism, therapeutic use) attributed by source. Well-studied compounds have many overlapping summaries — paged via descriptionOffset/maxDescriptions. Fetched only for the first 10 CIDs in the batch; remaining CIDs return without descriptions and are listed in the response's skippedCids.",
"type": "boolean"
},
"includeDrugLikeness": {
"default": false,
"description": "Compute drug-likeness assessment: Lipinski Rule of Five (MW, XLogP, HBD, HBA) and Veber rules (TPSA, rotatable bonds). Computed from the returned properties, so it adds no latency.",
"type": "boolean"
},
"includeSynonyms": {
"default": false,
"description": "Fetch known names and synonyms (trade names, systematic names, registry numbers), paged via synonymOffset/maxSynonyms. Fetched for every found CID in the batch. Slower for large CID lists.",
"type": "boolean"
},
"maxDescriptions": {
"default": 3,
"description": "Max number of distinct description entries per compound per page (1-20). PubChem returns near-duplicate summaries from many depositors; duplicates are collapsed before this cap applies. Default: 3.",
"maximum": 20,
"minimum": 1,
"type": "integer"
},
"maxSynonyms": {
"default": 20,
"description": "Max synonyms returned per compound per page (1-100). PubChem lists hundreds for common drugs; use synonymOffset to reach the ones past this page. Default: 20.",
"maximum": 100,
"minimum": 1,
"type": "integer"
},
"properties": {
"description": "Properties to retrieve. Defaults to a core set: MolecularFormula, MolecularWeight, IUPACName, CanonicalSMILES, IsomericSMILES, InChIKey, XLogP, TPSA, HBondDonorCount, HBondAcceptorCount, RotatableBondCount, HeavyAtomCount, Charge, Complexity.",
"items": {
"enum": [
"MolecularFormula",
"MolecularWeight",
"CanonicalSMILES",
"IsomericSMILES",
"InChI",
"InChIKey",
"IUPACName",
"Title",
"XLogP",
"ExactMass",
"MonoisotopicMass",
"TPSA",
"Complexity",
"Charge",
"HBondDonorCount",
"HBondAcceptorCount",
"RotatableBondCount",
"HeavyAtomCount",
"IsotopeAtomCount",
"AtomStereoCount",
"DefinedAtomStereoCount",
"UndefinedAtomStereoCount",
"BondStereoCount",
"DefinedBondStereoCount",
"UndefinedBondStereoCount",
"CovalentUnitCount",
"Volume3D"
],
"type": "string"
},
"type": "array"
},
"synonymOffset": {
"default": 0,
"description": "Zero-based index of the first synonym to return within each compound's synonym list. The same offset is applied to every compound in the batch. Pass the nextSynonymOffset from a previous call to read the following page. Default: 0.",
"maximum": 9007199254740991,
"minimum": 0,
"type": "integer"
}
},
"required": [
"cids"
],
"type": "object"
},
"name": "pubchem__pubchem_get_compound_details",
"outputSchema": {
"$schema": "https://json-schema.org/draft/2020-12/schema",
"additionalProperties": false,
"anyOf": [
{
"not": {
"required": [
"error"
]
},
"required": [
"compounds",
"truncated"
]
},
{
"required": [
"error"
]
}
],
"properties": {
"compounds": {
"description": "Compound detail records.",
"items": {
"additionalProperties": false,
"description": "Per-CID compound detail record.",
"properties": {
"cid": {
"description": "PubChem Compound ID.",
"type": "number"
},
"classification": {
"additionalProperties": false,
"description": "Pharmacological classification (FDA, MeSH, ATC).",
"properties": {
"atcCodes": {
"description": "ATC codes with hierarchical descriptions.",
"items": {
"additionalProperties": false,
"description": "ATC code entry with hierarchical description.",
"properties": {
"code": {
"description": "ATC code.",
"type": "string"
},
"description": {
"description": "ATC code description.",
"type": "string"
}
},
"required": [
"code",
"description"
],
"type": "object"
},
"type": "array"
},
"fdaClasses": {
"description": "FDA Established Pharmacologic Classes.",
"items": {
"type": "string"
},
"type": "array"
},
"fdaMechanisms": {
"description": "FDA Mechanisms of Action.",
"items": {
"type": "string"
},
"type": "array"
},
"meshClasses": {
"description": "MeSH pharmacological class descriptions.",
"items": {
"type": "string"
},
"type": "array"
}
},
"required": [
"atcCodes",
"fdaClasses",
"fdaMechanisms",
"meshClasses"
],
"type": "object"
},
"descriptions": {
"description": "Textual descriptions on this page, deduplicated then windowed by descriptionOffset/maxDescriptions. Each entry carries optional source attribution. Empty when descriptionOffset runs past descriptionsTotal.",
"items": {
"additionalProperties": false,
"description": "Description entry with optional source attribution.",
"properties": {
"source": {
"description": "Depositor source (e.g. \"DrugBank\", \"Wikipedia\", \"ChEBI\").",
"type": "string"
},
"text": {
"description": "Description text.",
"type": "string"
}
},
"required": [
"text"
],
"type": "object"
},
"type": "array"
},
"descriptionsTotal": {
"description": "Total distinct descriptions available for this compound, across all pages. Larger than descriptions.length when more sources exist — raise maxDescriptions or page with descriptionOffset to see them.",
"type": "number"
},
"drugLikeness": {
"additionalProperties": false,
"description": "Drug-likeness assessment. lipinski.violations ≤ 1 and veber.violations = 0 → pass.",
"properties": {
"lipinski": {
"additionalProperties": false,
"description": "Lipinski Rule of Five evaluation.",
"properties": {
"hba": {
"additionalProperties": false,
"description": "HBond acceptor count rule (≤10).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
},
"hbd": {
"additionalProperties": false,
"description": "HBond donor count rule (≤5).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
},
"mw": {
"additionalProperties": false,
"description": "Molecular weight rule (≤500 g/mol).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
},
"violations": {
"description": "Number of Lipinski violations (0-4).",
"type": "number"
},
"xLogP": {
"additionalProperties": false,
"description": "XLogP rule (≤5; calculated logP).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
}
},
"required": [
"hba",
"hbd",
"mw",
"violations",
"xLogP"
],
"type": "object"
},
"pass": {
"description": "Overall drug-likeness pass. Null when insufficient properties were available.",
"type": [
"boolean",
"null"
]
},
"veber": {
"additionalProperties": false,
"description": "Veber rules evaluation.",
"properties": {
"rotatableBonds": {
"additionalProperties": false,
"description": "Rotatable bond count rule (≤10).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
},
"tpsa": {
"additionalProperties": false,
"description": "Topological polar surface area rule (≤140 Ų).",
"properties": {
"limit": {
"description": "Rule threshold.",
"type": "number"
},
"pass": {
"description": "Whether the rule passes (null if value unavailable).",
"type": [
"boolean",
"null"
]
},
"value": {
"description": "Measured value (null if unavailable).",
"type": [
"number",
"null"
]
}
},
"required": [
"limit",
"pass",
"value"
],
"type": "object"
},
"violations": {
"description": "Number of Veber violations (0-2).",
"type": "number"
}
},
"required": [
"rotatableBonds",
"tpsa",
"violations"
],
"type": "object"
}
},
"required": [
"lipinski",
"pass",
"veber"
],
"type": "object"
},
"found": {
"description": "False when the CID does not exist in PubChem (properties, description, etc. are empty).",
"type": "boolean"
},
"properties": {
"additionalProperties": {},
"description": "Physicochemical properties keyed by name (echoes input.properties or the default core set; drug-likeness inputs are appended automatically when includeDrugLikeness is true).",
"propertyNames": {
"type": "string"
},
"type": "object"
},
"synonyms": {
"description": "Known names and synonyms on this page, windowed by synonymOffset/maxSynonyms. Empty when synonymOffset runs past synonymsTotal.",
"items": {
"type": "string"
},
"type": "array"
},
"synonymsTotal": {
"description": "Total synonyms available for this compound, across all pages. Larger than synonyms.length when more exist — raise maxSynonyms or page with synonymOffset to see them.",
"type": "number"
}
},
"required": [
"cid",
"found",
"properties"
],
"type": "object"
},
"type": "array"
},
"descriptionOffset": {
"description": "Zero-based index of the first description returned within each compound's list. Present when includeDescription is true.",
"type": "number"
},
"enrichedCids": {
"description": "CIDs whose descriptions and classification were fetched. Present only when the batch exceeded the per-call fan-out limit and other CIDs were skipped.",
"items": {
"type": "number"
},
"type": "array"
},
"error": {
"additionalProperties": {},
"description": "Present when the call failed. Absent on success.",
"properties": {
"code": {
"description": "JSON-RPC error code for this failure.",
"maximum": 9007199254740991,
"minimum": -9007199254740991,
"type": "integer"
},
"data": {
"additionalProperties": {},
"properties": {
"reason": {
"description": "Machine-readable failure mode.",
"type": "string"
},
"recovery": {
"additionalProperties": {},
"description": "Actionable next step for the caller.",
"properties": {
"hint": {
"type": "string"
}
},
"required": [
"hint"
],
"type": "object"
},
"retryable": {
"description": "Whether retrying may succeed.",
"type": "boolean"
}
},
"type": "object"
},
"message": {
"description": "Human-readable description of what went wrong.",
"type": "string"
}
},
"required": [
"code",
"message"
],
"type": "object"
},
"nextDescriptionOffset": {
"description": "descriptionOffset to pass on the next call to continue past this page. Omitted when no compound in the batch has further descriptions.",
"type": "number"
},
"nextSynonymOffset": {
"description": "synonymOffset to pass on the next call to continue past this page. Omitted when no compound in the batch has further synonyms.",
"type": "number"
},
"notice": {
"description": "Recovery guidance covering the skipped CIDs, an offset that runs past every compound, and pages that remain. Absent when nothing was skipped or truncated.",
"type": "string"
},
"skippedCids": {
"description": "CIDs found in PubChem whose descriptions and classification were NOT fetched because the batch exceeded the per-call fan-out limit. Their absence from a record means \"not requested\", not \"PubChem has none\" — re-request these CIDs in a follow-up call. Present only when CIDs were skipped.",
"items": {
"type": "number"
},
"type": "array"
},
"synonymOffset": {
"description": "Zero-based index of the first synonym returned within each compound's list. Present when includeSynonyms is true.",
"type": "number"
},
"truncated": {
"description": "True when this response is not the whole picture: a compound has further synonyms or descriptions past this page, or CIDs were skipped by the per-call fan-out limit. Per-compound totals are in compounds[].synonymsTotal / compounds[].descriptionsTotal; the skipped CIDs are in skippedCids.",
"type": "boolean"
}
},
"type": "object"
},
"title": "Get Compound Details"
}
```