Molecule ID: mol19619

SMILES: Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CC(C)(C)NC2=O

InChI: InChI=1S/C25H26N2O5S/c1-16-19(23-20(27(16)15-22(28)29)14-25(2,3)26-24(23)30)13-17-9-7-8-12-21(17)33(31,32)18-10-5-4-6-11-18/h4-12H,13-15H2,1-3H3,(H,26,30)(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization