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

Structure

InChI Key AXDCNQMJSHRGHN-UHFFFAOYSA-N
Smiles O=C(OC)NCOC=N
InChI
InChI=1/C4H8N2O3/c1-8-4(7)6-3-9-2-5/h2,5H,3H2,1H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O3
Molecular Weight 132.05
AlogP 0.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 74.9
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 40943-37-1
NORMAN SUSDAT
PubChem 15037334