Molecule ID: mol24482

SMILES: CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1-2

InChI: InChI=1S/C25H32N2O2/c1-5-26(6-2)16-24(28)18-9-11-22-20(13-18)15-21-14-19(10-12-23(21)22)25(29)17-27(7-3)8-4/h9-14H,5-8,15-17H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization