Molecule ID: mol29795

SMILES: CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)N(C)C

InChI: InChI=1S/C20H25NO/c1-5-19(22)20(16(2)21(3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,5H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization