Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DCE98CK2EW
EPA CompTox DTXSID7051973

Structure

InChI Key ZADGQTHIZZOKGE-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1
InChI
InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11Cl3
Molecular Weight 283.99
AlogP 5.19
Number of Rotational Bond 2.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 2971-22-4
NORMAN SUSDAT
FDA SRS DCE98CK2EW
PubChem 18085
ChemSpider 17083.0