Molecule ID: mol9684

SMILES: Cn1c2nc(=O)[nH]c-2c[nH]c1=O

InChI: InChI=1S/C6H6N4O2/c1-10-4-3(2-7-6(10)12)8-5(11)9-4/h2H,1H3,(H,7,12)(H,8,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.39 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization