Molecule ID: 122198196

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

Description: The molecule is a member of the class of indoles that is 6-hydroxyindole in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate and a member of indoles. It is a conjugate acid of a 6-hydroxyindole sulfate(1-).

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

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][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)

Molecular Properties:
- Polar Surface Area: 87.8 Ų
- LogP: 1.7