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

Structure

InChI Key ULJHAULTNLFGRE-UHFFFAOYSA-N
Smiles [Na+].[O-][N+](=O)[C-]1NCN=C1
InChI
InChI=1S/C3H5N3O2/c7-6(8)3-1-4-2-5-3/h1,3,5H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3O2
Molecular Weight 115.04
AlogP -0.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 67.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 58031-81-5
NORMAN SUSDAT