Molecule ID: mol18382

SMILES: CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccc(F)cc1

InChI: InChI=1S/C22H21ClFN3O/c1-14(2)19-11-21(27-18-5-3-4-16(23)10-18)25-13-20(19)22(28)26-12-15-6-8-17(24)9-7-15/h3-11,13-14H,12H2,1-2H3,(H,25,27)(H,26,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.02 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization