Molecule ID: mol25784

SMILES: CN(C)/C=N/c1nccnc1C#N

InChI: InChI=1S/C8H9N5/c1-13(2)6-12-8-7(5-9)10-3-4-11-8/h3-4,6H,1-2H3/b12-6+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.53 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization