chemistry.pubchem.search
Search PubChem's chemical database to find compounds by name, formula, or SMILES string and retrieve molecular properties like CID, weight, and structure data.
Instructions
Search 100M+ chemical compounds by name, formula, or SMILES string. Returns CID, molecular formula, weight, IUPAC name, SMILES, InChI, XLogP, H-bond donors/acceptors, exact mass, and complexity. The largest public chemical database (PubChem / NCBI)
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| name | Yes | Compound name, formula, or SMILES string (e.g. "aspirin", "C9H8O4", "CC(=O)OC1=CC=CC=C1C(=O)O") | |
| limit | No | Maximum results to return (1-20, default 5) |