Molecule ID: mol10592

SMILES: Cc1nc2cnc(=O)[nH]c2nc1C

InChI: InChI=1S/C8H8N4O/c1-4-5(2)11-7-6(10-4)3-9-8(13)12-7/h3H,1-2H3,(H,9,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization