Molecule ID: mol29526

SMILES: C[n+]1cnc2nc(O)[nH]c2c1O

InChI: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(5(10)11)8-6(12)9-4/h2H,1H3,(H2,8,9,11,12)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization