Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00944511

Structure

InChI Key LCOLLZNVOZERDL-UHFFFAOYSA-N
Smiles O=C(Cl)C1CC2CC1CC2S(=O)(=O)CCCl
InChI
InChI=1/C10H14Cl2O3S/c11-1-2-16(14,15)9-5-6-3-7(9)4-8(6)10(12)13/h6-9H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14Cl2O3S
Molecular Weight 284.0
AlogP 1.82
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 51.21
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 21912-24-3
NORMAN SUSDAT
PubChem 89548