Molecule ID: mol28079

SMILES: CN(C)C(=Nc1ccc(C#N)cc1)N(C)C

InChI: InChI=1S/C12H16N4/c1-15(2)12(16(3)4)14-11-7-5-10(9-13)6-8-11/h5-8H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization