Molecule ID: mol9580
SMILES: CC(C(=O)O)C(C)C(=O)O
InChI: InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | -1 » -2 |
| 3.77 | QSARToolbox | -1 » -2 |
| 3.94 | AttenGpKa training set | -1 » -2 |
| 3.94 | QSARToolbox | -1 » -2 |
| 3.94 | QSARToolbox | -1 » -2 |
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | OCHEM | 0 » -1 |
| 5.00 | OCHEM | 0 » -1 |
| 5.94 | QSARToolbox | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | AttenGpKa training set | 0 » -1 |