Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80211657

Structure

InChI Key SEBXHYNSUTYHGW-UHFFFAOYSA-N
Smiles ClCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C7H2Cl6S/c8-1-14-7-5(12)3(10)2(9)4(11)6(7)13/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H2Cl6S1
Molecular Weight 327.8
AlogP 6.24
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 62601-17-6
NORMAN SUSDAT
PubChem 96302
ChemSpider 86930.0