Molecule ID: mol38004

SMILES: O=C1C(Br)=CC(=C(c2cc(Br)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C1Br

InChI: InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28/h1-8,24H,(H,26,27,28)

Experimental Macro pKa Values

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