Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FLU6LN357N

Structure

InChI Key ABGIIXRNMHUKII-DHZHZOJOSA-N
Smiles O=C(C=CC1=CC=C(Cl)C=C1)C=2C=CC=CC2
InChI
InChI=1/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11ClO
Molecular Weight 242.05
AlogP 4.24
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 22252-16-0
NORMAN SUSDAT
FDA SRS FLU6LN357N
PubChem 5377022