Molecule ID: 9231

IUPAC Name: azulene

Description: The molecule is a mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. It has a role as a plant metabolite and a volatile oil component. It is an ortho-fused bicyclic arene, a member of azulenes and a mancude carbobicyclic parent.

SMILES: c1ccc2cccc-2cc1

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

InChI: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 3.2