Molecule ID: mol17936

SMILES: Cc1c(O)ccc2c(Cc3ccc(/C=C/C(=O)O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12

InChI: InChI=1S/C27H19F3O6/c1-15-22(31)12-11-20-21(14-17-4-2-16(3-5-17)6-13-23(32)33)24(26(34)35-25(15)20)18-7-9-19(10-8-18)36-27(28,29)30/h2-13,31H,14H2,1H3,(H,32,33)/b13-6+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.50 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization