Molecule ID: mol34489

SMILES: CC(C)NCC(O)COc1ccccc1-c1ccccc1OCC(O)CNC(C)C

InChI: InChI=1S/C24H36N2O4/c1-17(2)25-13-19(27)15-29-23-11-7-5-9-21(23)22-10-6-8-12-24(22)30-16-20(28)14-26-18(3)4/h5-12,17-20,25-28H,13-16H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization