Molecule ID: 378

IUPAC Name: (4-nitrophenyl) dihydrogen phosphate

Description: The molecule is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It derives from a 4-nitrophenol. It is a conjugate acid of a 4-nitrophenyl phosphate(2-).

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

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

InChI: InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)

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