Molecule ID: mol29816
SMILES: O=C1c2ccc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O
InChI: InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | AttenGpKa training set | 0 » -1 |
| 8.78 | AttenGpKa training set | -1 » -2 |
| 11.12 | AttenGpKa training set | -3 » -4 |
| 13.00 | AttenGpKa training set | -4 » -5 |