Molecule ID: mol17719

SMILES: OC[C@H]1O[C@H](Oc2ccc(-c3cc(F)c(O)c(F)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C18H18F2O7/c19-11-5-9(6-12(20)14(11)22)8-1-3-10(4-2-8)26-18-17(25)16(24)15(23)13(7-21)27-18/h1-6,13,15-18,21-25H,7H2/t13-,15-,16+,17+,18+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.50 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization