Molecule ID: mol34640

SMILES: COc1ccc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(OCC(=O)O)cc3)nc2c1

InChI: InChI=1S/C22H19N3O6S/c1-30-15-8-11-19-20(12-15)24-22(23-19)17-4-2-3-5-18(17)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
4.91 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization