Molecule ID: mol20404

SMILES: CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F

InChI: InChI=1S/C21H24FN3O2/c1-2-26-20-13-15(7-8-17(20)22)14-25-11-9-16(10-12-25)23-21-24-18-5-3-4-6-19(18)27-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,24)

Experimental Macro pKa Values

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