Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3Y97S5CBLM
EPA CompTox DTXSID7042487

Structure

InChI Key NJQRKFOZZUIMGW-UHFFFAOYSA-N
Smiles ClC=1C=C(Cl)C(=C(Cl)C1)CCl
InChI
InChI=1/C7H4Cl4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl4
Molecular Weight 227.91
AlogP 4.39
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1344-32-7
NORMAN SUSDAT
FDA SRS 3Y97S5CBLM
PubChem 14939