Molecule ID: mol19462

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1F

InChI: InChI=1S/C23H30FN3O3/c1-4-29-20-11-17(12-21(22(20)24)30-5-2)15-27-8-6-19(7-9-27)26-23(28)18-10-16(3)13-25-14-18/h10-14,19H,4-9,15H2,1-3H3,(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization