Molecule ID: mol18002

SMILES: FC(F)(F)c1ccc(Nc2nc(CCCN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1

InChI: InChI=1S/C28H25F6N5O/c29-27(30,31)19-6-8-20(9-7-19)36-26-21-10-5-18(25-22(28(32,33)34)3-1-11-35-25)17-23(21)37-24(38-26)4-2-12-39-13-15-40-16-14-39/h1,3,5-11,17H,2,4,12-16H2,(H,36,37,38)

Experimental Macro pKa Values

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