Molecule ID: mol16948

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(CCc3ccccc3)ccc12

InChI: InChI=1S/C28H30FN3O/c1-33-28-13-11-24(29)19-23(28)20-30-15-5-16-31-26-14-17-32-27-18-22(10-12-25(26)27)9-8-21-6-3-2-4-7-21/h2-4,6-7,10-14,17-19,30H,5,8-9,15-16,20H2,1H3,(H,31,32)

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