Molecule ID: mol2787

SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1

InChI: InChI=1S/C15H19BrCl2N2O5S2/c1-15(2,3)25-14(22)20-6-4-8(5-7-20)13(21)19-27(23,24)10-9(16)11(17)26-12(10)18/h8H,4-7H2,1-3H3,(H,19,21)

Experimental Macro pKa Values

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