Molecule ID: mol17203

SMILES: CN(CC(N)=O)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1

InChI: InChI=1S/C23H24F6N2O2/c1-31(12-20(30)32)18-7-8-19(21(18)15-5-3-2-4-6-15)33-13-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h2-6,9-11,18-19,21H,7-8,12-13H2,1H3,(H2,30,32)/t18-,19+,21+/m1/s1

Experimental Macro pKa Values

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