Molecule ID: mol16900

SMILES: FC(F)(F)c1cc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc(C(F)(F)F)c1

InChI: InChI=1S/C25H21F6N3O/c26-24(27,28)18-11-17(12-19(14-18)25(29,30)31)16-4-5-21-22(6-9-34-23(21)13-16)33-8-2-7-32-15-20-3-1-10-35-20/h1,3-6,9-14,32H,2,7-8,15H2,(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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization