Molecule ID: mol35325

SMILES: CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)O)c1cc(Br)c(O)c(Br)c1C

InChI: InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)20(26)18(9)24)17(11-5-3-4-6-16(11)31(28,29)30)13-8-15(23)21(27)19(25)10(13)2/h3-8,26H,1-2H3,(H,28,29,30)/b17-13+

Experimental Macro pKa Values

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