Molecule ID: mol16942

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(CC(C)C)ccc12

InChI: InChI=1S/C24H30FN3O/c1-17(2)13-18-5-7-21-22(9-12-28-23(21)14-18)27-11-4-10-26-16-19-15-20(25)6-8-24(19)29-3/h5-9,12,14-15,17,26H,4,10-11,13,16H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

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