Molecule ID: mol26199

SMILES: Cc1nc(O)c2nccnc2n1

InChI: InChI=1S/C7H6N4O/c1-4-10-6-5(7(12)11-4)8-2-3-9-6/h2-3H,1H3,(H,9,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization