Molecule ID: mol20939

SMILES: CCN(CC)Cc1c(O)c(F)c(F)c(Nc2ccnc3cc(Cl)ccc23)c1F

InChI: InChI=1S/C20H19ClF3N3O/c1-3-27(4-2)10-13-16(22)19(17(23)18(24)20(13)28)26-14-7-8-25-15-9-11(21)5-6-12(14)15/h5-9,28H,3-4,10H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.17 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization