Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M7K69H3QFH
EPA CompTox DTXSID901032160

Structure

InChI Key ZGONASGBWOJHDD-UHFFFAOYSA-N
Smiles O=NN(C(=N)N[N+](=O)[O-])CC
InChI
InChI=1/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N5O3
Molecular Weight 161.05
AlogP -0.29
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 111.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4245-77-6
NORMAN SUSDAT
FDA SRS M7K69H3QFH