Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LJC28L6W8L
EPA CompTox DTXSID5058850

Structure

InChI Key DUJPMUKIEFLXRE-UHFFFAOYSA-N
Smiles Clc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O
InChI
InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H4Cl4O2
Molecular Weight 343.9
AlogP 5.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 81-58-3
NORMAN SUSDAT
FDA SRS LJC28L6W8L
PubChem 66484
ChemSpider 59855.0