Molecule ID: mol36189

SMILES: O=C(O)COc1ccc(S(=O)(=O)Nc2cc3c(cc2-c2nc4ccccc4[nH]2)OCO3)cc1

InChI: InChI=1S/C22H17N3O7S/c26-21(27)11-30-13-5-7-14(8-6-13)33(28,29)25-18-10-20-19(31-12-32-20)9-15(18)22-23-16-3-1-2-4-17(16)24-22/h1-10,25H,11-12H2,(H,23,24)(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.98 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization