Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B433Q7TVW2
EPA CompTox DTXSID2065709

Structure

InChI Key FZFNDUTVMQOPCT-UHFFFAOYSA-N
Smiles Clc1cc(Cl)c(Cl)c(Cl)n1
InChI
InChI=1S/C5HCl4N/c6-2-1-3(7)10-5(9)4(2)8/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H1Cl4N1
Molecular Weight 214.89
AlogP 3.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 14121-36-9
NORMAN SUSDAT
FDA SRS B433Q7TVW2
PubChem 84208
ChemSpider 75967.0