Molecule ID: mol16944

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

InChI: InChI=1S/C25H32FN3O/c1-18(2)5-6-19-7-9-22-23(11-14-29-24(22)15-19)28-13-4-12-27-17-20-16-21(26)8-10-25(20)30-3/h7-11,14-16,18,27H,4-6,12-13,17H2,1-3H3,(H,28,29)

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