Molecule ID: mol1858
SMILES: O=C(O)CI
InChI: InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | IUPAC digitized pKa | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.16 | Datawarrior | 0 » -1 |
| 3.16 | QSARToolbox | 0 » -1 |
| 3.16 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | AttenGpKa training set | 0 » -1 |
| 3.18 | OCHEM | 0 » -1 |
| 3.18 | Hunt | 0 » -1 |
| 3.18 | QSARToolbox | 0 » -1 |
| 3.18 | QSARToolbox | 0 » -1 |
| 3.19 | IUPAC digitized pKa | 0 » -1 |
| 3.21 | IUPAC digitized pKa | 0 » -1 |