Molecule ID: 69867

IUPAC Name: 1H-indole-3-carboxylic acid

Description: The molecule is an indole-3-carboxylic acid carrying a carboxy group at position 3. It has a role as a human metabolite and a bacterial metabolite. It is a conjugate acid of an indole-3-carboxylate.

SMILES: O=C(O)c1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.0