Molecule ID: mol2879

SMILES: CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2c1=O

InChI: InChI=1S/C14H15F3N4O5S/c1-27(24,25)19-21-12(22)8-6-11(20-2-4-26-5-3-20)9(14(15,16)17)7-10(8)18-13(21)23/h6-7,19H,2-5H2,1H3,(H,18,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.35 Novartis -1 » -2
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Charge States and Microspecies Visualization