Molecule ID: 8479

IUPAC Name: 4-aminobenzenesulfonic acid

Description: The molecule is an aminobenzenesulfonic acid that is aniline sulfonated at the para-position. It has a role as a xenobiotic metabolite, a xenobiotic, an environmental contaminant and an allergen. It is a conjugate acid of a 4-aminobenzenesulfonate.

SMILES: Nc1ccc(S(=O)(=O)O)cc1

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

InChI: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 88.8 Ų
- LogP: -0.6