Molecule ID: 10258

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

Description: The molecule is an aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group. It has a role as a human metabolite. It is a member of indoles and an aryl sulfate. It derives from an indoxyl. It is a conjugate acid of an indoxyl sulfate(1-).

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

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

Molecular Properties:
- Polar Surface Area: 87.8 Ų
- LogP: 1.3