Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H5WF2AMH7J
EPA CompTox DTXSID30196248

Structure

InChI Key MOVMEFHWBOWMFU-UHFFFAOYSA-N
Smiles ClCC(=O)N=C=O
InChI
InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl1N1O2
Molecular Weight 118.98
AlogP 0.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 46.5
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 4461-30-7
NORMAN SUSDAT
FDA SRS H5WF2AMH7J
PubChem 78209
ChemSpider 70585.0