Molecule ID: mol12790

SMILES: N/N=C/c1ncnc2nc[nH]c12

InChI: InChI=1S/C6H6N6/c7-12-1-4-5-6(10-2-8-4)11-3-9-5/h1-3H,7H2,(H,8,9,10,11)/b12-1+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 Datawarrior 1 » 0
9.20 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization