Molecule ID: mol8230

SMILES: Cn1c2nc(=N)n(C)c(=O)c-2nc(-c2ccccc2)c1-c1ccccc1

InChI: InChI=1S/C20H17N5O/c1-24-17(14-11-7-4-8-12-14)15(13-9-5-3-6-10-13)22-16-18(24)23-20(21)25(2)19(16)26/h3-12,21H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.64 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization