Molecule ID: mol17906

SMILES: CCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2ccccc12)C(=O)C1CC1

InChI: InChI=1S/C23H22F3N3O3/c1-2-28(22(32)14-7-8-14)12-15-11-16(23(24,25)26)9-10-17(15)21-18-5-3-4-6-19(18)29(27-21)13-20(30)31/h3-6,9-11,14H,2,7-8,12-13H2,1H3,(H,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization