Molecule ID: 802

IUPAC Name: 2-(1H-indol-3-yl)acetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. It has a role as a plant hormone, a human metabolite, a plant metabolite, a mouse metabolite and an auxin. It is a monocarboxylic acid and a member of indole-3-acetic acids. It is a conjugate acid of an indole-3-acetate.

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

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

InChI: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 1.4