Molecule ID: mol33055
SMILES: O=C(O)C=Cc1ccccc1Cl
InChI: InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.32 | OCHEM | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |