Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key VOGHDWQJCXXBMH-UHFFFAOYSA-N
Smiles ClC(=CC)CCl
InChI
InChI=1/C4H6Cl2/c1-2-4(6)3-5/h2H,3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Cl2
Molecular Weight 123.98
AlogP 2.37
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 13602-13-6
NORMAN SUSDAT
PubChem 114661