Molecule ID: mol29779
SMILES: Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2
InChI: InChI=1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | AttenGpKa training set | 0 » -1 |
| 9.73 | AttenGpKa training set | -2 » -3 |
| 11.09 | AttenGpKa training set | -3 » -4 |
| 13.25 | AttenGpKa training set | -4 » -5 |