Molecule ID: mol16901

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3cccc4ccccc34)ccc12

InChI: InChI=1S/C30H28FN3O/c1-35-30-13-11-24(31)18-23(30)20-32-15-5-16-33-28-14-17-34-29-19-22(10-12-27(28)29)26-9-4-7-21-6-2-3-8-25(21)26/h2-4,6-14,17-19,32H,5,15-16,20H2,1H3,(H,33,34)

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