Molecule ID: 83939

IUPAC Name: (4-acetamidophenyl) hydrogen sulfate

Description: The molecule is an aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group. It has a role as a drug metabolite. It is an aryl sulfate and a member of acetamides. It derives from a paracetamol.

SMILES: CC(O)=Nc1ccc(OS(=O)(=O)O)cc1

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

InChI: InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.1