Molecule ID: mol26249

SMILES: Cc1nc2nc(O)nc(C)c2nc1C

InChI: InChI=1S/C9H10N4O/c1-4-5(2)11-8-7(10-4)6(3)12-9(14)13-8/h1-3H3,(H,11,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization