Molecule ID: mol37369

SMILES: O=C1C(Br)=C/C(=C(\c2ccccc2S(=O)(=O)O)c2cc(Br)c(O)c(O)c2O)C(O)=C1O

InChI: InChI=1S/C19H12Br2O9S/c20-10-5-8(14(22)18(26)16(10)24)13(7-3-1-2-4-12(7)31(28,29)30)9-6-11(21)17(25)19(27)15(9)23/h1-6,22-24,26-27H,(H,28,29,30)/b13-9-

Experimental Macro pKa Values

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