Molecule ID: mol35324

SMILES: CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)O)c1ccc(O)c(Br)c1C

InChI: InChI=1S/C21H15Br3O5S/c1-10-12(7-8-16(25)19(10)23)18(13-5-3-4-6-17(13)30(27,28)29)14-9-15(22)21(26)20(24)11(14)2/h3-9,25H,1-2H3,(H,27,28,29)/b18-14-

Experimental Macro pKa Values

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