Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5VS7Y53A5K
EPA CompTox DTXSID10176982

Structure

InChI Key LSVXAQMPXJUTBV-UHFFFAOYSA-N
Smiles Clc1c(Cl)c(Cl)c(SSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChI
InChI=1S/C12Cl10S2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22

Physicochemical Descriptors

Property Name Value
Molecular Formula C12Cl10S2
Molecular Weight 557.63
AlogP 11.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 22441-21-0
NORMAN SUSDAT
FDA SRS 5VS7Y53A5K
PubChem 89716
ChemSpider 80975.0