Molecule ID: mol12336
SMILES: O=C(O)C1CCCC1
InChI: InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.91 | OCHEM | 0 » -1 |
| 4.91 | OCHEM | 0 » -1 |
| 4.99 | QSARToolbox | 0 » -1 |
| 4.99 | QSARToolbox | 0 » -1 |
| 4.99 | QSARToolbox | 0 » -1 |
| 4.99 | QSARToolbox | 0 » -1 |
| 4.99 | QSARToolbox | 0 » -1 |
| 4.99 | OCHEM | 0 » -1 |
| 4.99 | Datawarrior | 0 » -1 |
| 4.99 | OCHEM | 0 » -1 |
| 4.99 | AttenGpKa training set | 0 » -1 |