Molecule ID: mol21787
SMILES: O=C(O)C=Cc1ccccc1
InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | QSARToolbox | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.43 | OCHEM | 0 » -1 |
| 4.44 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |