Molecule ID: mol29895

SMILES: CCC(=O)C(c1ccccc1)C1CCN(CCc2ccccc2)CC1

InChI: InChI=1S/C23H29NO/c1-2-22(25)23(20-11-7-4-8-12-20)21-14-17-24(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21,23H,2,13-18H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.43 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization