Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60199909

Structure

InChI Key SRJBDGLSCPDXBL-UHFFFAOYSA-N
Smiles CCOC(=O)c1cnc(Cl)nc1Cl
InChI
InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2N2O2
Molecular Weight 219.98
AlogP 1.96
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.08
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 51940-64-8
NORMAN SUSDAT
PubChem 104020
ChemSpider 93909.0