Molecule ID: mol26289

SMILES: Oc1nc(-c2ccccc2)nc2nccnc12

InChI: InChI=1S/C12H8N4O/c17-12-9-11(14-7-6-13-9)15-10(16-12)8-4-2-1-3-5-8/h1-7H,(H,14,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization