Molecule ID: mol3189

SMILES: CCOC(=O)C(CCN(CC)CC)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C22H29NO2/c1-4-23(5-2)18-17-22(21(24)25-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization