Molecule ID: 122198214

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

Description: The molecule is a phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. It has a role as a drug metabolite. It is a conjugate base of a 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate.

SMILES: CC([O-])=Nc1ccc(OS(=O)(=O)O)cc1O

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

InChI: InChI=1S/C8H9NO6S/c1-5(10)9-7-3-2-6(4-8(7)11)15-16(12,13)14/h2-4,11H,1H3,(H,9,10)(H,12,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -0.6