Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HZ7997EJT2
EPA CompTox DTXSID20168156

Structure

InChI Key INZDTEICWPZYJM-UHFFFAOYSA-N
Smiles ClCc1ccc(cc1)c1ccc(CCl)cc1
InChI
InChI=1S/C14H12Cl2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12Cl2
Molecular Weight 250.03
AlogP 4.83
Number of Rotational Bond 3.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 1667-10-3
NORMAN SUSDAT
FDA SRS HZ7997EJT2
PubChem 74275
ChemSpider 66881.0