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

Structure

InChI Key BMMNUXLWZAHXNL-UHFFFAOYSA-N
Smiles Oc1cccc(Cc2ccccc2)c1c3ccccc3
InChI
InChI=1S/C19H16O/c20-18-13-7-12-17(14-15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13,20H,14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16O1
Molecular Weight 260.12
AlogP 4.65
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 30348-72-2
NORMAN SUSDAT