Molecule ID: mol16848

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccc(F)cc3)ccc12

InChI: InChI=1S/C26H25F2N3O2/c1-32-26-10-5-20(28)15-18(26)17-29-12-2-13-30-24-11-14-31-25-16-22(8-9-23(24)25)33-21-6-3-19(27)4-7-21/h3-11,14-16,29H,2,12-13,17H2,1H3,(H,30,31)

Experimental Macro pKa Values

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