Molecule ID: mol2789

SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1

InChI: InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.87 Novartis 0 » -1
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Charge States and Microspecies Visualization