Molecule ID: mol15598

SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)cc(-c3ccccc3)nc12

InChI: InChI=1S/C21H24N4O2/c1-15-10-11-19(25(26)27)20-18(22-12-7-13-24(2)3)14-17(23-21(15)20)16-8-5-4-6-9-16/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization