Molecule ID: mol38277

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

InChI: InChI=1S/C21H33NO4/c1-5-7-8-13-21(23)26-18(15-22-17(3)4)16-25-20-12-10-9-11-19(20)24-14-6-2/h6,9-12,17-18,22H,2,5,7-8,13-16H2,1,3-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization