Molecule ID: mol2849

SMILES: COc1ccc(-c2nc(Nc3ccc(F)cc3F)c3ccccc3n2)cc1OC

InChI: InChI=1S/C22H17F2N3O2/c1-28-19-10-7-13(11-20(19)29-2)21-25-17-6-4-3-5-15(17)22(27-21)26-18-9-8-14(23)12-16(18)24/h3-12H,1-2H3,(H,25,26,27)

Experimental Macro pKa Values

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