Molecule ID: mol34938

SMILES: CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(C(=O)O)C1=O

InChI: InChI=1S/C23H18O9S/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.80 QSARToolbox -3 » -4
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Charge States and Microspecies Visualization