Molecule ID: mol2882

SMILES: CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1

InChI: InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)

Experimental Macro pKa Values

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