Molecule ID: mol1929
SMILES: O=C(O)CCCl
InChI: InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.99 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | Hunt | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 4.04 | Datawarrior | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.05 | OCHEM | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | AttenGpKa training set | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |