Molecule ID: mol36616

SMILES: COC(=O)Nc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1

InChI: InChI=1S/C14H20N2O6S/c1-22-14(19)16-11-6-8-12(9-7-11)23(20,21)15-10-4-2-3-5-13(17)18/h6-9,15H,2-5,10H2,1H3,(H,16,19)(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization