Molecule ID: mol15022

SMILES: CCN(CC)Cc1cn2nc(-c3ccccc3)cc(C)c2n1

InChI: InChI=1S/C18H22N4/c1-4-21(5-2)12-16-13-22-18(19-16)14(3)11-17(20-22)15-9-7-6-8-10-15/h6-11,13H,4-5,12H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.20 Datawarrior 2 » 1
2.20 QSARToolbox 2 » 1
8.79 Datawarrior 1 » 0
8.79 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization