Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VKP59D3RYN
EPA CompTox DTXSID5067182

Structure

InChI Key RVDTXDMZBHZDCD-UHFFFAOYSA-N
Smiles CN(C)S(=O)(=O)c1cc(Cl)c(N)cc1Cl
InChI
InChI=1S/C8H10Cl2N2O2S/c1-12(2)15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4H,11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10Cl2N2O2S1
Molecular Weight 267.98
AlogP 1.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.4
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 26175-68-8
NORMAN SUSDAT
FDA SRS VKP59D3RYN
PubChem 117747
ChemSpider 105225.0