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

Structure

InChI Key SXCATGXBSQWDDJ-UHFFFAOYSA-N
Smiles ClC(=CCCl)CCl
InChI
InChI=1/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl3
Molecular Weight 157.95
AlogP 2.59
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2431-54-1
NORMAN SUSDAT
PubChem 17074