Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RF53JOH76F
EPA CompTox DTXSID101017738

Structure

InChI Key SMFZKOLFXRQOIX-UHFFFAOYSA-N
Smiles ClC(Cl)C(c1ccc(Cl)cc1)c1cccc(Cl)c1
InChI
InChI=1S/C14H10Cl4/c15-11-6-4-9(5-7-11)13(14(17)18)10-2-1-3-12(16)8-10/h1-8,13-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl4
Molecular Weight 317.95
AlogP 5.93
Number of Rotational Bond 3.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 4329-12-8
NORMAN SUSDAT
FDA SRS RF53JOH76F
PubChem 96516
ChemSpider 87133.0