Molecule ID: mol19453

SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(NC(C)C)nc3)CC2)cc(OCC)c1F

InChI: InChI=1S/C25H35FN4O3/c1-5-32-21-13-18(14-22(24(21)26)33-6-2)16-30-11-9-20(10-12-30)29-25(31)19-7-8-23(27-15-19)28-17(3)4/h7-8,13-15,17,20H,5-6,9-12,16H2,1-4H3,(H,27,28)(H,29,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization