Molecule ID: mol18824

SMILES: NC(=O)CNC1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization