Molecule ID: 4453098

IUPAC Name: 1H-indol-3-yl sulfate

Description: The molecule is an aryl sulfate oxoanion that is the conjugate base of indoxyl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of an indoxyl sulfate.

SMILES: O=S(=O)([O-])Oc1c[nH]c2ccccc12

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

InChI: InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 90.6 Ų
- LogP: 1.2