Molecule ID: mol25358

SMILES: CN1NC=C(C(N)=O)N1N

InChI: InChI=1S/C4H9N5O/c1-8-7-2-3(4(5)10)9(8)6/h2,7H,6H2,1H3,(H2,5,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.10 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization