Molecule ID: mol37540

SMILES: O=C1C=C/C(=C(/c2ccc(O)cc2)c2ccccc2S(=O)(=O)O)C=C1Br

InChI: InChI=1S/C19H13BrO5S/c20-16-11-13(7-10-17(16)22)19(12-5-8-14(21)9-6-12)15-3-1-2-4-18(15)26(23,24)25/h1-11,21H,(H,23,24,25)/b19-13+

Experimental Macro pKa Values

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