Molecule ID: 7055551

IUPAC Name: 3-methyl-1H-indole-2-carboxylate

Description: The molecule is an indolecarboxylate obtained by deprotonation of the carboxy group of 3-methyl-2-indolic acid; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-methyl-2-indolic acid.

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

SELFIES: [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 2.9