Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 82D7A29SCJ
EPA CompTox DTXSID1061813

Structure

InChI Key MAXQCYDCBHPIAB-UHFFFAOYSA-N
Smiles ClC(Cl)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C3HCl5/c4-1(2(5)6)3(7)8/h2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H1Cl5
Molecular Weight 211.85
AlogP 3.68
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1600-37-9
NORMAN SUSDAT
FDA SRS 82D7A29SCJ
PubChem 15338
ChemSpider 14600.0