Molecule ID: 44284

IUPAC Name: chrysen-1-ol

Description: The molecule is a hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite.

SMILES: Oc1cccc2c1ccc1c3ccccc3ccc21

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

InChI: InChI=1S/C18H12O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-11,19H

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3