Molecule ID: mol35679

SMILES: Cc1ccc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)cc1

InChI: InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization