Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20157368

Structure

InChI Key NXJZQSRAFBHNLI-UHFFFAOYSA-N
Smiles ClC(=O)N1CCNC1=O
InChI
InChI=1S/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1N2O2
Molecular Weight 148.0
AlogP 0.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.9
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13214-53-4
NORMAN SUSDAT
PubChem 83241
ChemSpider 75106.0