Molecule ID: mol26309

SMILES: Cc1nc2nc(-c3ccccc3)nc(O)c2nc1C

InChI: InChI=1S/C14H12N4O/c1-8-9(2)16-13-11(15-8)14(19)18-12(17-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization