Molecule ID: mol9802
SMILES: CC(Cl)CCCC(=O)O
InChI: InChI=1S/C6H11ClO2/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |