Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KJ4TMD25MS
EPA CompTox DTXSID2062080

Structure

InChI Key BCMYXYHEMGPZJN-UHFFFAOYSA-N
Smiles ClCCN=C=O
InChI
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl1N1O1
Molecular Weight 105.0
AlogP 0.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 29.43
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1943-83-5
NORMAN SUSDAT
FDA SRS KJ4TMD25MS
PubChem 16035
ChemSpider 15227.0