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

Structure

InChI Key OWEZWMDNHHTXJU-UHFFFAOYSA-N
Smiles Oc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
InChI
InChI=1S/C20H12O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11,21H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H12O1
Molecular Weight 268.09
AlogP 5.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 13345-26-1
NORMAN SUSDAT