Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DM99MQP76V
EPA CompTox DTXSID8051546

Structure

InChI Key UTACNSITJSJFHA-UHFFFAOYSA-N
Smiles ClCCC(Cl)(Cl)Cl
InChI
InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl4
Molecular Weight 179.91
AlogP 2.99
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1070-78-6
NORMAN SUSDAT
FDA SRS DM99MQP76V
PubChem 14056
ChemSpider 13437.0