Molecule ID: 644235

IUPAC Name: 4-nitrophenolate

Description: The molecule is a phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 4-nitrophenol.

SMILES: O=[N+]([O-])c1ccc([O-])cc1

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

InChI: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1

Molecular Properties:
- Polar Surface Area: 68.9 Ų
- LogP: 2.2