Molecule ID: mol13548
SMILES: O=C(O)C1(C(=O)O)CC1
InChI: InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | OCHEM | 0 » -1 |
| 1.82 | OCHEM | 0 » -1 |
| 1.82 | QSARToolbox | 0 » -1 |
| 1.82 | QSARToolbox | 0 » -1 |
| 1.82 | QSARToolbox | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.85 | QSARToolbox | 0 » -1 |
| 1.92 | Datawarrior | 0 » -1 |
| 1.92 | OCHEM | 0 » -1 |
| 2.10 | OCHEM | 0 » -1 |
| 5.43 | QSARToolbox | -1 » -2 |
| 7.31 | Datawarrior | -1 » -2 |
| 7.43 | QSARToolbox | -1 » -2 |