Molecule ID: mol8996
SMILES: O=C(O)C#CBr
InChI: InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | IUPAC digitized pKa | 0 » -1 |
| 1.81 | IUPAC digitized pKa | 0 » -1 |
| 1.84 | IUPAC digitized pKa | 0 » -1 |
| 1.86 | IUPAC digitized pKa | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 1.88 | IUPAC digitized pKa | 0 » -1 |
| 1.90 | QSARToolbox | 0 » -1 |
| 1.90 | QSARToolbox | 0 » -1 |
| 1.90 | IUPAC digitized pKa | 0 » -1 |
| 1.90 | Datawarrior | 0 » -1 |
| 1.90 | OCHEM | 0 » -1 |
| 1.90 | AttenGpKa training set | 0 » -1 |
| 1.92 | IUPAC digitized pKa | 0 » -1 |