Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R9RW2GUN5R
EPA CompTox DTXSID60157802

Structure

InChI Key ABSHBZODGOHLFR-UHFFFAOYSA-N
Smiles CCCC(Cl)(Cl)Cl
InChI
InChI=1S/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl3
Molecular Weight 159.96
AlogP 3.16
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 13279-85-1
NORMAN SUSDAT
FDA SRS R9RW2GUN5R
PubChem 83297
ChemSpider 75158.0