Molecule ID: 2336

IUPAC Name: benzo[a]pyrene

Description: The molecule is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It has a role as a carcinogenic agent and a mouse metabolite.

SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1]

InChI: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 6.0