Molecule ID: 69745

IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

Description: The molecule is a diol that is propane 1,3-diol bearing additional amino and 4-nitrophenyl substituents at positions 2 and 1 respectively. It is an amino alcohol, a diol and a C-nitro compound.

SMILES: N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1

SELFIES: [N][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -0.7