Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1069299

Structure

InChI Key YFXVCZINZDQVCR-UHFFFAOYSA-N
Smiles CCNS(=O)(=O)c1c(Cl)cc(N)c(Cl)c1
InChI
InChI=1S/C8H10Cl2N2O2S/c1-2-12-15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10Cl2N2O2S1
Molecular Weight 267.98
AlogP 1.87
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 72.19
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 59000-84-9
NORMAN SUSDAT
PubChem 100923
ChemSpider 91184.0