Molecule ID: mol22545
SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | QSARToolbox | -1 » -2 |
| 2.93 | QSARToolbox | -1 » -2 |
| 2.93 | QSARToolbox | -1 » -2 |
| 2.99 | AttenGpKa training set | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.01 | QSARToolbox | 0 » -1 |
| 3.01 | QSARToolbox | 0 » -1 |
| 3.02 | QSARToolbox | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.29 | QSARToolbox | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.39 | QSARToolbox | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 14.14 | AttenGpKa training set | -3 » -4 |