Molecule ID: mol14690

SMILES: CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1

InChI: InChI=1S/C14H14N6/c1-20(2)11-5-3-10(4-6-11)7-15-14-16-8-12-13(19-14)18-9-17-12/h3-9H,1-2H3,(H,16,17,18,19)/b15-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.82 Datawarrior 1 » 0
5.26 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization