Molecule ID: mol17929

SMILES: O=C(O)/C=C/c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(O)ccc23)cc1

InChI: InChI=1S/C26H17F3O6/c27-26(28,29)35-19-9-6-17(7-10-19)24-21(20-11-8-18(30)14-22(20)34-25(24)33)13-16-3-1-15(2-4-16)5-12-23(31)32/h1-12,14,30H,13H2,(H,31,32)/b12-5+

Experimental Macro pKa Values

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