Molecule ID: mol29777
SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | AttenGpKa training set | 0 » -1 |
| 8.79 | AttenGpKa training set | -1 » -2 |
| 9.44 | AttenGpKa training set | -1 » -2 |
| 11.18 | AttenGpKa training set | -2 » -3 |
| 13.25 | AttenGpKa training set | -4 » -5 |