Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GP581VM303

Structure

InChI Key AAOLGDRTKZMLIG-OUKQBFOZSA-N
Smiles CC(=O)C=C(/C)c1ccc(cc1)c2ccccc2
InChI
InChI=1S/C17H16O/c1-13(12-14(2)18)15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b13-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16O1
Molecular Weight 236.12
AlogP 4.35
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 55845-78-8
NORMAN SUSDAT
FDA SRS GP581VM303