Molecule ID: mol4820

SMILES: Cc1nc2ncncc2nc1O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization