Molecule ID: mol37921

SMILES: COc1ccccc1N/N=C1\C(=O)C=Cc2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C17H14N2O5S/c1-24-16-5-3-2-4-14(16)18-19-17-13-8-7-12(25(21,22)23)10-11(13)6-9-15(17)20/h2-10,18H,1H3,(H,21,22,23)/b19-17-

Experimental Macro pKa Values

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