Molecule ID: 3702659

IUPAC Name: 4-(1H-indol-3-yl)butanoate

Description: The molecule is an indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group. It is a conjugate base of an indole-3-butyric acid.

SMILES: O=C([O-])CCCc1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1

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