Molecule ID: mol19449

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(F)cc1

InChI: InChI=1S/C27H30FN3O2/c1-3-33-26-15-20(4-9-25(26)21-5-7-23(28)8-6-21)18-31-12-10-24(11-13-31)30-27(32)22-14-19(2)16-29-17-22/h4-9,14-17,24H,3,10-13,18H2,1-2H3,(H,30,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.87 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization