Molecule ID: mol34449

SMILES: CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccc(O)cc1C)c1ccccc1S(=O)(=O)O

InChI: InChI=1S/C24H24O5S/c1-14(2)20-13-21(16(4)12-22(20)26)24(18-10-9-17(25)11-15(18)3)19-7-5-6-8-23(19)30(27,28)29/h5-14,25H,1-4H3,(H,27,28,29)/b24-21-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.60 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization