Molecule ID: mol37774

SMILES: CCC(=O)C(CC(C)N1CCCOCC1)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C24H31NO2/c1-3-23(26)24(21-11-6-4-7-12-21,22-13-8-5-9-14-22)19-20(2)25-15-10-17-27-18-16-25/h4-9,11-14,20H,3,10,15-19H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization