Molecule ID: mol35049
SMILES: CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChI: InChI=1S/C15H20O7/c1-15(2,8-6-4-3-5-7-8)22-14-11(18)9(16)10(17)12(21-14)13(19)20/h3-7,9-12,14,16-18H,1-2H3,(H,19,20)/t9-,10-,11+,12-,14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | QSARToolbox | 0 » -1 |