Molecule ID: mol38406

SMILES: C=CCOc1ccccc1OCC(CNC(C)C)OC(=O)c1ccccc1Cl

InChI: InChI=1S/C22H26ClNO4/c1-4-13-26-20-11-7-8-12-21(20)27-15-17(14-24-16(2)3)28-22(25)18-9-5-6-10-19(18)23/h4-12,16-17,24H,1,13-15H2,2-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization