Molecule ID: 4615422

IUPAC Name: (4-methylphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of p-cresol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has a role as a human metabolite, a uremic toxin and a gut flora metabolite. It is a conjugate base of a p-cresol sulfate.

SMILES: Cc1ccc(OS(=O)(=O)[O-])cc1

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

InChI: InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 1.7