Molecule ID: 4615423

IUPAC Name: (4-methylphenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group. It has a role as a human metabolite, a uremic toxin and a gut flora metabolite. It derives from a p-cresol. It is a conjugate acid of a p-cresol sulfate(1-).

SMILES: Cc1ccc(OS(=O)(=O)O)cc1

SELFIES: [C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][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)

Molecular Properties:
- Polar Surface Area: 72.0 Ų
- LogP: 1.3