Molecule ID: 248990

IUPAC Name: (2S,3S)-2-(4-nitrophenyl)-3-phenyloxirane

Description: The molecule is an epoxide that is oxirane substituted by a phenyl group at position 3 and a 4-nitrophenyl group at position 2 (the trans-isomer). It is an epoxide and a C-nitro compound.

SMILES: O=[N+]([O-])c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1

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

InChI: InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.4 Ų
- LogP: 2.7