Molecule ID: mol16889

SMILES: FC(F)(F)c1ccc(-c2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1

InChI: InChI=1S/C27H24F3N3O2/c28-27(29,30)21-6-3-19(4-7-21)20-5-8-22-23(10-13-33-24(22)15-20)32-12-1-11-31-16-18-2-9-25-26(14-18)35-17-34-25/h2-10,13-15,31H,1,11-12,16-17H2,(H,32,33)

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