Molecule ID: 980

IUPAC Name: 4-nitrophenol

Description: The molecule is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a 4-nitrophenolate.

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

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

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

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: 1.9