Molecule ID: mol17933

SMILES: Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2cc(F)c(O)cc2oc1=O

InChI: InChI=1S/C25H16F2O6/c1-13-10-15(26)5-8-17(13)23-24(18-11-19(27)20(28)12-21(18)33-25(23)31)32-16-6-2-14(3-7-16)4-9-22(29)30/h2-12,28H,1H3,(H,29,30)/b9-4+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.80 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization