Molecule ID: mol15847
SMILES: O=C(O)C#CI
InChI: InChI=1S/C3HIO2/c4-2-1-3(5)6/h(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | Datawarrior | 0 » -1 |
| 2.00 | OCHEM | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | QSARToolbox | 0 » -1 |
| 2.00 | AttenGpKa training set | 0 » -1 |