Molecule ID: mol19647

SMILES: COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

InChI: InChI=1S/C26H26Cl2N4O5S/c1-26(2,34)25(33)29-14-16-6-4-7-17(12-16)15-32-21-8-5-9-22(37-3)23(21)24(30-32)31-38(35,36)18-10-11-19(27)20(28)13-18/h4-13,34H,14-15H2,1-3H3,(H,29,33)(H,30,31)

Experimental Macro pKa Values

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