Molecule ID: mol15609

SMILES: CCN(CC)CCN=C(c1ccccc1C)c1ccccc1C

InChI: InChI=1S/C21H28N2/c1-5-23(6-2)16-15-22-21(19-13-9-7-11-17(19)3)20-14-10-8-12-18(20)4/h7-14H,5-6,15-16H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization