Molecule ID: 8794

IUPAC Name: 2-phenylacetonitrile

Description: The molecule is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group. It has a role as a pheromone and an animal metabolite. It is a nitrile and a member of benzenes. It derives from an acetonitrile.

SMILES: N#CCc1ccccc1

SELFIES: [N][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

Molecular Properties:
- Polar Surface Area: 23.8 Ų
- LogP: 1.6