Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JD3M24F66I
EPA CompTox DTXSID0048395

Structure

InChI Key IXWDUZLHWJKVPX-UHFFFAOYSA-N
Smiles C[N+](C)(C)CC[N+]1(C)Cc2c(C1)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20Cl4N2
Molecular Weight 356.04
AlogP 4.47
Number of Rotational Bond 3.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 7701-62-4
NORMAN SUSDAT
FDA SRS JD3M24F66I
PubChem 6244
ChemSpider 6008.0