Molecule ID: mol25802

SMILES: Cc1nc(-c2ccccc2)nc(N)c1N

InChI: InChI=1S/C11H12N4/c1-7-9(12)10(13)15-11(14-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H2,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization