Molecule ID: 90448

IUPAC Name: 2-indol-1-ylacetic acid

Description: The molecule is an indolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an indol-1-yl group. It is a monocarboxylic acid and an indolyl carboxylic acid. It derives from an acetic acid.

SMILES: O=C(O)Cn1ccc2ccccc21

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

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

Molecular Properties:
- Polar Surface Area: 42.2 Ų
- LogP: 2.4