Molecule ID: mol34877

SMILES: COc1nc(N)cc(N)c1C#N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization