Molecule ID: mol10429
SMILES: COC(=O)c1cc(O)c(O)c(O)c1
InChI: InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.87 | AttenGpKa training set | 0 » -1 |
| 7.88 | IUPAC digitized pKa | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 7.88 | QSARToolbox | 0 » -1 |
| 10.00 | AttenGpKa training set | -1 » -2 |
| 12.20 | AttenGpKa training set | -2 » -3 |