Molecule ID: mol2852

SMILES: COc1ccc(C#CC(C)(C)N)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1

InChI: InChI=1S/C25H22F2N2O2/c1-25(2,28)13-12-16-4-11-23(31-3)20(14-16)24(30)17-5-8-19(9-6-17)29-22-10-7-18(26)15-21(22)27/h4-11,14-15,29H,28H2,1-3H3

Experimental Macro pKa Values

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