Molecule ID: 122164830

IUPAC Name: (4-acetamido-3-methoxyphenyl) sulfate

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 2-methoxyacetaminophen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It has a role as a drug metabolite. It is a conjugate base of a 2-methoxyacetaminophen sulfate.

SMILES: COc1cc(OS(=O)(=O)O)ccc1N=C(C)[O-]

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

InChI: InChI=1S/C9H11NO6S/c1-6(11)10-8-4-3-7(5-9(8)15-2)16-17(12,13)14/h3-5H,1-2H3,(H,10,11)(H,12,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 0.3