Molecule ID: 122198197

IUPAC Name: 1H-indol-6-yl sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of 6-hydroxyindole sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a 6-hydroxyindole sulfate.

SMILES: O=S(=O)([O-])Oc1ccc2cc[nH]c2c1

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

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

Molecular Properties:
- Polar Surface Area: 90.6 Ų
- LogP: 1.6