Molecule ID: 44285

IUPAC Name: chrysen-3-ol

Description: The molecule is a hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group.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: Oc1ccc2ccc3c4ccccc4ccc3c2c1

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

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

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.2