Molecule ID: mol18883

SMILES: COc1cc(/C=C/C(O)=C/C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C19H24O9/c1-10(21)7-12(22)5-3-11-4-6-13(14(8-11)26-2)27-19-18(25)17(24)16(23)15(9-20)28-19/h3-8,15-20,22-25H,9H2,1-2H3/b5-3+,12-7-/t15-,16-,17+,18-,19-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization