Molecule ID: mol16060

SMILES: Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl

InChI: InChI=1S/C20H17ClF3N3O/c1-11-18(9-19(28)25-10-12-3-4-13(22)7-16(12)21)27(2)20(26-11)15-6-5-14(23)8-17(15)24/h3-8H,9-10H2,1-2H3,(H,25,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization