Molecule ID: mol20149

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCC1

InChI: InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(9-6-10-26)20-8-5-7-19(14-20)25(2,3)4/h5,7-8,11-12,14-15,23-24,29,32H,6,9-10,13,16H2,1-4H3,(H,30,31)/t23-,24+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.80 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization