Molecule ID: mol31013

SMILES: CC1=C/C(=C(\c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O

InChI: InChI=1S/C23H16Cl2O6/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31/h3-9,26H,1-2H3,(H,28,29)(H,30,31)/b18-13-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.00 QSARToolbox -2 » -3
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Charge States and Microspecies Visualization