Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID701003583

Structure

InChI Key MLADWLUEOJQILB-UHFFFAOYSA-N
Smiles O=CN(C=C)CO
InChI
InChI=1/C4H7NO2/c1-2-5(3-6)4-7/h2-3,7H,1,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO2
Molecular Weight 101.05
AlogP -0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 40.54
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 83579-28-6
NORMAN SUSDAT
PubChem 3019209