Molecule ID: mol26295

SMILES: Cc1nc2cnc(-c3ccccc3)nc2nc1C

InChI: InChI=1S/C14H12N4/c1-9-10(2)17-14-12(16-9)8-15-13(18-14)11-6-4-3-5-7-11/h3-8H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization