Molecule ID: mol12564

SMILES: COc1cc(N)c(C#N)c(N)n1

InChI: InChI=1S/C7H8N4O/c1-12-6-2-5(9)4(3-8)7(10)11-6/h2H,1H3,(H4,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.17 Datawarrior 1 » 0
4.17 QSARToolbox 1 » 0
4.17 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization