Molecule ID: mol20937

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

InChI: InChI=1S/C20H20ClF2N3O/c1-3-26(4-2)11-14-18(27)10-15(22)20(19(14)23)25-16-7-8-24-17-9-12(21)5-6-13(16)17/h5-10,27H,3-4,11H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization