PubChem compound properties
Chemical identity and computed properties of a compound by name, PubChem CID or InChIKey: CID, title, IUPAC name, formula, molecular weight, SMILES, InChIKey. Needs identifier.
Inputs
- Identifier
- Compound name, CID or InChIKey, e.g. 'caffeine' or '2519'Required · identifier
- Namespace
- Identifier type, e.g. 'name' (name, cid or inchikey)Optional · namespace
- Properties
- Comma-separated PUG REST property names, e.g. 'MolecularFormula,MolecularWeight,IUPACName'Optional · properties
Pricing
- Price
- Free, no charge per call
- Billing
- No charge per call. A workspace is still needed so your agent can call it.
- License
- NCBI PubChem data policy (no NCBI restrictions on use)
- Attribution
- Data from PubChem, National Center for Biotechnology Information (NCBI)
Call
Your agent reads the schema and the price with inspect_tool before it runs the tool.
- MCP call
- cURL command
- TypeScript
- Tool ID
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