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

Structure

InChI Key MNTGULWOSINLPT-UHFFFAOYSA-N
Smiles [H+].[Cl-].NC(NC(N)=NCO)=NCO
InChI
InChI=1S/C4H11N5O2/c5-3(7-1-10)9-4(6)8-2-11/h10-11H,1-2H2,(H5,5,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N5O2
Molecular Weight 161.09
AlogP -2.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 124.25
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68134-03-2
NORMAN SUSDAT