Molecule ID: mol37338
SMILES: O=C(O)[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | QSARToolbox | 0 » -1 |