Molecule ID: mol2878

SMILES: CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(N3CCCOCC3)cc2c1=O

InChI: InChI=1S/C15H17F3N4O5S/c1-28(25,26)20-22-13(23)9-7-12(21-3-2-5-27-6-4-21)10(15(16,17)18)8-11(9)19-14(22)24/h7-8,20H,2-6H2,1H3,(H,19,24)

Experimental Macro pKa Values

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