Molecule ID: mol33778
SMILES: Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.64 | QSARToolbox | 0 » -1 |
| 8.65 | QSARToolbox | 0 » -1 |
| 9.41 | QSARToolbox | -1 » -2 |
| 11.26 | QSARToolbox | -3 » -4 |
| 13.26 | QSARToolbox | -4 » -5 |