Molecule ID: mol34625
SMILES: COc1ccc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC
InChI: InChI=1S/C15H18O10/c1-22-7-4-3-6(5-8(7)23-2)14(21)25-15-11(18)9(16)10(17)12(24-15)13(19)20/h3-5,9-12,15-18H,1-2H3,(H,19,20)/t9-,10-,11+,12-,15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.47 | QSARToolbox | 0 » -1 |