Molecule ID: mol14352
SMILES: OCO
InChI: InChI=1S/CH4O2/c2-1-3/h2-3H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.68 | AttenGpKa training set | 0 » -1 |
| 11.50 | QSARToolbox | 0 » -1 |
| 12.69 | QSARToolbox | 0 » -1 |
| 12.72 | QSARToolbox | 0 » -1 |
| 12.74 | QSARToolbox | 0 » -1 |
| 12.83 | Datawarrior | 0 » -1 |
| 12.83 | OCHEM | 0 » -1 |
| 13.10 | AttenGpKa training set | 0 » -1 |
| 13.29 | QSARToolbox | 0 » -1 |
| 15.10 | QSARToolbox | -1 » -2 |
| 15.10 | QSARToolbox | -1 » -2 |