Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VZ89YBW3P8
EPA CompTox DTXSID5060510

Structure

InChI Key XGEGHDBEHXKFPX-UHFFFAOYSA-N
Smiles CNC(N)=O
InChI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6N2O1
Molecular Weight 74.05
AlogP -0.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 56.11
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 598-50-5
NORMAN SUSDAT
FDA SRS VZ89YBW3P8
PubChem 11719
ChemSpider 11227.0