Molecule ID: mol35648

SMILES: CCN(CC)Cc1c(O)c(O)c(CN(CC)CC)c2ccccc12

InChI: InChI=1S/C20H30N2O2/c1-5-21(6-2)13-17-15-11-9-10-12-16(15)18(20(24)19(17)23)14-22(7-3)8-4/h9-12,23-24H,5-8,13-14H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
13.04 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization