Molecule ID: mol8995
SMILES: O=C(O)C#CCl
InChI: InChI=1S/C3HClO2/c4-2-1-3(5)6/h(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.77 | IUPAC digitized pKa | 0 » -1 |
| 1.80 | IUPAC digitized pKa | 0 » -1 |
| 1.82 | IUPAC digitized pKa | 0 » -1 |
| 1.85 | IUPAC digitized pKa | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.85 | OCHEM | 0 » -1 |
| 1.86 | IUPAC digitized pKa | 0 » -1 |
| 1.87 | OCHEM | 0 » -1 |
| 1.89 | AttenGpKa training set | 0 » -1 |
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | QSARToolbox | 0 » -1 |
| 1.89 | Datawarrior | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |