Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10192223

Structure

InChI Key NLZPGZAUQYVFHS-UHFFFAOYSA-N
Smiles Oc1c(Cl)cc(Cc2ccccc2)cc1Cl
InChI
InChI=1S/C13H10Cl2O/c14-11-7-10(8-12(15)13(11)16)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10Cl2O1
Molecular Weight 252.01
AlogP 4.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 38932-58-0
NORMAN SUSDAT
PubChem 3016022
ChemSpider 2284040.0