Molecule ID: mol34448

SMILES: CC1=CC(=O)C(C(C)C)=C/C1=C(\c1cc(C(C)C)c(O)cc1C)c1ccccc1S(=O)(=O)O

InChI: InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)/b27-23+

Experimental Macro pKa Values

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