Molecule ID: mol7026

SMILES: Cc1nc(N)nc(C)c1C#N

InChI: InChI=1S/C7H8N4/c1-4-6(3-8)5(2)11-7(9)10-4/h1-2H3,(H2,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization