Molecule ID: mol13739

SMILES: Cc1cc(-n2nc(C)cc2C)[nH]n1

InChI: InChI=1S/C9H12N4/c1-6-5-9(11-10-6)13-8(3)4-7(2)12-13/h4-5H,1-3H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.40 Datawarrior 2 » 1
2.23 Datawarrior 1 » 0
2.23 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization