Molecule ID: mol1752
SMILES: O=C(O)CCCCl
InChI: InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Hunt | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |