Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2PJM89QK6T
EPA CompTox DTXSID50188408

Structure

InChI Key JITSWUFGPFIMFG-UHFFFAOYSA-N
Smiles ClCCC(Cl)(Cl)C(Cl)Cl
InChI
InChI=1S/C4H5Cl5/c5-2-1-4(8,9)3(6)7/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl5
Molecular Weight 227.88
AlogP 3.59
Number of Rotational Bond 3.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 34867-74-8
NORMAN SUSDAT
FDA SRS 2PJM89QK6T
PubChem 3015718
ChemSpider 2283800.0