Molecule ID: mol25308

SMILES: CN1N=C(N)C(CN)=N1

InChI: InChI=1S/C4H9N5/c1-9-7-3(2-5)4(6)8-9/h2,5H2,1H3,(H2,6,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.86 AttenGpKa training set 2 » 1
8.12 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization