Molecule ID: mol20088

SMILES: O=C(O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1

InChI: InChI=1S/C19H19ClO8/c20-12-7-11(9-1-3-10(4-2-9)18(25)26)5-6-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15-,16+,17+,19+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.98 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization