Molecule ID: 182424

IUPAC Name: 3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene

Description: The molecule is an arene epoxide that is tetraphene which has undergone 1,2 addition of an oxygen atom to the double bond at the 5-6 position. It has a role as a mutagen. It is an arene epoxide and an organic heteropentacyclic compound. It derives from a hydride of a tetraphene.

SMILES: c1ccc2c(c1)-c1cc3ccccc3cc1C1OC21

SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][Ring1][S][Ring1][Ring1]

InChI: InChI=1S/C18H12O/c1-2-6-12-10-16-15(9-11(12)5-1)13-7-3-4-8-14(13)17-18(16)19-17/h1-10,17-18H

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 3.9