Molecule ID: mol7027

SMILES: Cc1nc(N)ncc1C#N

InChI: InChI=1S/C6H6N4/c1-4-5(2-7)3-9-6(8)10-4/h3H,1H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization