Molecule ID: mol20936

SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(F)c1O

InChI: InChI=1S/C20H21ClFN3O/c1-3-25(4-2)12-13-9-15(11-17(22)20(13)26)24-18-7-8-23-19-10-14(21)5-6-16(18)19/h5-11,26H,3-4,12H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization