Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZCI474BE63
EPA CompTox DTXSID3025417

Structure

InChI Key LTYRAPJYLUPLCI-UHFFFAOYSA-N
Smiles OCC#N
InChI
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N1O1
Molecular Weight 57.02
AlogP -0.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 44.02
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 107-16-4
NORMAN SUSDAT
FDA SRS ZCI474BE63
PubChem 7857
ChemSpider 7569.0