Molecule ID: mol14632

SMILES: CCOc1ccc2nc(/C=C/C=C/c3ccccc3)cc(N)c2c1

InChI: InChI=1S/C21H20N2O/c1-2-24-18-12-13-21-19(15-18)20(22)14-17(23-21)11-7-6-10-16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,22,23)/b10-6+,11-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization