Molecule ID: 3772821

IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetate

Description: The molecule is the indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3 It has a role as a human metabolite. It is a conjugate base of a (5-hydroxyindol-3-yl)acetic acid.

SMILES: O=C(O)Cc1c[nH]c2ccc([O-])cc12

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

InChI: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 76.2 Ų
- LogP: 1.0