Molecule ID: mol15521

SMILES: CN(C)Cc1cnc2ccc(-c3ccccc3)nn12

InChI: InChI=1S/C15H16N4/c1-18(2)11-13-10-16-15-9-8-14(17-19(13)15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.99 Datawarrior 2 » 1
2.99 OCHEM 2 » 1
2.99 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization