Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WDU827PD7T
EPA CompTox DTXSID00183261

Structure

InChI Key NFHKZAUDRWRXMZ-UHFFFAOYSA-N
Smiles ClC(=O)C(Cl)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C14H10Cl2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl2O1
Molecular Weight 264.01
AlogP 3.93
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 2902-98-9
NORMAN SUSDAT
FDA SRS WDU827PD7T
PubChem 17941
ChemSpider 16945.0