Molecule ID: mol18370

SMILES: O=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Br)c2)cc1C(F)(F)F

InChI: InChI=1S/C20H14BrF4N3O/c21-13-2-1-3-15(8-13)28-18-9-17(20(23,24)25)16(11-26-18)19(29)27-10-12-4-6-14(22)7-5-12/h1-9,11H,10H2,(H,26,28)(H,27,29)

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