Molecule ID: 801

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

Description: The molecule is an indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid. It has a role as a human metabolite, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an indole-3-acetic acid.

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

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

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 2.1