Molecule ID: mol34413

SMILES: COc1ccc(-c2nc3ccccc3[nH]2)c(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c1

InChI: InChI=1S/C22H19N3O6S/c1-30-15-8-11-17(22-23-18-4-2-3-5-19(18)24-22)20(12-15)25-32(28,29)16-9-6-14(7-10-16)31-13-21(26)27/h2-12,25H,13H2,1H3,(H,23,24)(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.79 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization