Molecule ID: mol19754

SMILES: Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(F)cc(F)c2n1CC(=O)O

InChI: InChI=1S/C22H17F2N3O3/c1-13-21(16-9-15(23)10-17(24)22(16)26(13)12-20(29)30)18-7-8-19(28)27(25-18)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization