Molecule ID: mol20113

SMILES: CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

InChI: InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-7-9-25(34)23(14-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-13-22(29)8-10-24(21)33/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/t26-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.22 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization