Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 304368U4VH
EPA CompTox DTXSID2021074

Structure

InChI Key RUYUCCQRWINUHE-UHFFFAOYSA-N
Smiles ClC(Cl)=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12

Physicochemical Descriptors

Property Name Value
Molecular Formula C8Cl8
Molecular Weight 375.75
AlogP 7.3
Number of Rotational Bond 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 29082-74-4
NORMAN SUSDAT
FDA SRS 304368U4VH
PubChem 34466
ChemSpider 31717.0