Molecule ID: mol16937

SMILES: FC(F)(F)c1cccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1

InChI: InChI=1S/C25H24F3N3O/c26-25(27,28)20-5-1-4-18(15-20)14-19-7-8-22-23(9-12-31-24(22)16-19)30-11-3-10-29-17-21-6-2-13-32-21/h1-2,4-9,12-13,15-16,29H,3,10-11,14,17H2,(H,30,31)

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