Molecule ID: mol10100

SMILES: Cc1cnc2cnc(=O)[nH]c2n1

InChI: InChI=1S/C7H6N4O/c1-4-2-8-5-3-9-7(12)11-6(5)10-4/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
8.07 AttenGpKa training set 0 » -1
10.85 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization