Molecule ID: mol19446

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1C

InChI: InChI=1S/C24H33N3O3/c1-5-29-22-12-19(13-23(18(22)4)30-6-2)16-27-9-7-21(8-10-27)26-24(28)20-11-17(3)14-25-15-20/h11-15,21H,5-10,16H2,1-4H3,(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization