Molecule ID: mol19712

SMILES: CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)[nH]c12

InChI: InChI=1S/C25H24F3N5O3/c1-33-9-6-24(7-10-33)14-30-23(35)18-13-19(31-21(18)24)15-5-8-29-20(12-15)32-22(34)16-3-2-4-17(11-16)36-25(26,27)28/h2-5,8,11-13,31H,6-7,9-10,14H2,1H3,(H,30,35)(H,29,32,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization