Molecule ID: 639659

IUPAC Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene

Description: The molecule is a stilbenoid with a structure of (E)-stilbene substituted at one of the C-4 positions by a nitro group. It has a role as a mutagen.

SMILES: O=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1

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

InChI: InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 4.5