Molecule ID: mol15630

SMILES: Cc1cc(-c2ccccc2)nn2c(CN3CCOCC3)cnc12

InChI: InChI=1S/C18H20N4O/c1-14-11-17(15-5-3-2-4-6-15)20-22-16(12-19-18(14)22)13-21-7-9-23-10-8-21/h2-6,11-12H,7-10,13H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization