Molecule ID: mol445
SMILES: OCCCl
InChI: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.29 | QSARToolbox | 0 » -1 |
| 14.29 | QSARToolbox | 0 » -1 |
| 14.30 | OCHEM | 0 » -1 |
| 14.30 | QSARToolbox | 0 » -1 |
| 14.30 | QSARToolbox | 0 » -1 |
| 14.30 | QSARToolbox | 0 » -1 |
| 14.31 | IUPAC digitized pKa | 0 » -1 |
| 14.31 | OCHEM | 0 » -1 |
| 14.31 | Hunt | 0 » -1 |
| 14.31 | OCHEM | 0 » -1 |
| 14.31 | AttenGpKa training set | 0 » -1 |
| 14.31 | QSARToolbox | 0 » -1 |
| 14.31 | QSARToolbox | 0 » -1 |
| 14.31 | QSARToolbox | 0 » -1 |
| 14.31 | QSARToolbox | 0 » -1 |
| 14.37 | Datawarrior | 0 » -1 |
| 14.37 | OCHEM | 0 » -1 |
| 14.52 | QSARToolbox | 0 » -1 |
| 14.52 | QSARToolbox | 0 » -1 |