Molecule ID: mol17719
SMILES: OC[C@H]1O[C@H](Oc2ccc(-c3cc(F)c(O)c(F)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C18H18F2O7/c19-11-5-9(6-12(20)14(11)22)8-1-3-10(4-2-8)26-18-17(25)16(24)15(23)13(7-21)27-18/h1-6,13,15-18,21-25H,7H2/t13-,15-,16+,17+,18+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 0 » -1 |