Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60208424

Structure

InChI Key SXVBQOZRZIUHKU-UHFFFAOYSA-N
Smiles CCN1CCN(C(=O)Cl)C(=O)C1=O
InChI
InChI=1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9Cl1N2O3
Molecular Weight 204.03
AlogP 0.04
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 59703-00-3
NORMAN SUSDAT
PubChem 108813
ChemSpider 97851.0