Molecule ID: mol9429
SMILES: CC(Cl)CCC(=O)O
InChI: InChI=1S/C5H9ClO2/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |