get_compound

Active

declared in 0.1.0

Get standard properties for a PubChem CID: molecular formula, molecular weight, IUPAC name, canonical SMILES, isomeric SMILES, InChI, InChIKey, exact mass, charge, complexity, H-bond donors/acceptors, rotatable bonds, TPSA, XLogP, heavy atom count.

Parameters schema

{
  "type": "object",
  "examples": [
    {
      "cid": 3672
    }
  ],
  "required": [
    "cid"
  ],
  "properties": {
    "cid": {
      "type": "number",
      "description": "PubChem Compound ID"
    }
  }
}

What this tool wraps· 1 endpoint

min confidence0.70 0.50

Data resourcePubChem PUG REST API
NCBI · science
name mention0.85

Parent server

Pubchem

https://github.com/pipeworx-io/mcp-pubchem

1/7 registries

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