Molecule ID: 2752638

IUPAC Name: 3-methyl-1H-indole-2-carboxylic acid

Description: The molecule is an indolecarboxylic acid that is indole-2-carboxylic acid in which the hydrogen at position 3 is replaced by a methyl group. It has a role as a bacterial metabolite. It is a conjugate acid of a 3-methyl-2-indolate.

SMILES: Cc1c(C(=O)O)[nH]c2ccccc12

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

InChI: InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.3