Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H297I90DAD
EPA CompTox DTXSID70862152

Structure

InChI Key SEQRDAAUNCRFIT-UHFFFAOYSA-N
Smiles ClC(Cl)CCC
InChI
InChI=1/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl2
Molecular Weight 126.0
AlogP 2.59
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 541-33-3
NORMAN SUSDAT
FDA SRS H297I90DAD
PubChem 10926