Molecule ID: mol10012
SMILES: CCOC(=O)CC(=O)OCC
InChI: InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.90 | IUPAC digitized pKa | 0 » -1 |
| 13.30 | QSARToolbox | 0 » -1 |
| 13.30 | QSARToolbox | 0 » -1 |
| 13.80 | AttenGpKa training set | 0 » -1 |
| 15.22 | QSARToolbox | 0 » -1 |