Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2T3B9CJA5S
EPA CompTox DTXSID50192424

Structure

InChI Key NGAUWAOLBDDRKB-UHFFFAOYSA-N
Smiles CC(Cl)(Cl)CC(Cl)Cl
InChI
InChI=1S/C4H6Cl4/c1-4(7,8)2-3(5)6/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Cl4
Molecular Weight 193.92
AlogP 3.37
Number of Rotational Bond 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 39185-82-5
NORMAN SUSDAT
FDA SRS 2T3B9CJA5S
PubChem 642174
ChemSpider 557395.0