Molecule ID: mol24805

SMILES: CC(=N)/C(C#N)=N/Nc1ccccc1

InChI: InChI=1S/C10H10N4/c1-8(12)10(7-11)14-13-9-5-3-2-4-6-9/h2-6,12-13H,1H3/b12-8?,14-10+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization