Molecule ID: mol16086

SMILES: NC(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1

InChI: InChI=1S/C22H22F6N2O2/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-30(12-19(29)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,29,31)/t18-,20-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization