chem-pubchem-compound
Installation
SKILL.md
PubChem compound properties
chem.pubchem-compound on https://fittings.sh. One endpoint, health and medicine.
Structure and computed properties for a compound by name, CAS number, PubChem CID or SMILES: formula, weight, InChI, logP, TPSA and H-bond counts.
The call
GET https://fittings.sh/v1/chem/pubchem-compound
| Field | Type | Required | Notes |
|---|---|---|---|
name |
string | no | Compound name or CAS number, e.g. aspirin or 50-78-2 |
cid |
number | no | PubChem compound id |
smiles |
string | no | SMILES string |
Example input: