Molecule ID: mol15645

SMILES: O=Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1

InChI: InChI=1S/C17H20N4O2/c22-13-15-12-16(14-4-2-1-3-5-14)19-20-17(15)18-6-7-21-8-10-23-11-9-21/h1-5,12-13H,6-11H2,(H,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization