Molecule ID: mol34946

SMILES: CC1=C/C(=C(/c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O

InChI: InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26/h3-12,22H,1-2H3,(H,24,25,26)/b21-16-

Experimental Macro pKa Values

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