Molecule ID: mol16928

SMILES: FC(F)(F)c1cccc(Cc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1

InChI: InChI=1S/C28H26F3N3O2/c29-28(30,31)22-4-1-3-19(14-22)13-20-5-7-23-24(9-12-34-25(23)15-20)33-11-2-10-32-17-21-6-8-26-27(16-21)36-18-35-26/h1,3-9,12,14-16,32H,2,10-11,13,17-18H2,(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
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Charge States and Microspecies Visualization