Molecule ID: mol18371

SMILES: NC(=O)c1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(F)(F)F)cc1

InChI: InChI=1S/C21H16ClF3N4O2/c22-14-2-1-3-15(8-14)29-18-9-17(21(23,24)25)16(11-27-18)20(31)28-10-12-4-6-13(7-5-12)19(26)30/h1-9,11H,10H2,(H2,26,30)(H,27,29)(H,28,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization