Molecule ID: mol1944
SMILES: Cc1cc(Cl)ccc1O
InChI: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.74 | OCHEM | 0 » -1 |
| 8.74 | OCHEM | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.60 | Datawarrior | 0 » -1 |
| 9.60 | QSARToolbox | 0 » -1 |
| 9.60 | OCHEM | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.71 | IUPAC digitized pKa | 0 » -1 |
| 9.71 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.71 | Hunt | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.71 | OCHEM | 0 » -1 |
| 9.71 | AttenGpKa training set | 0 » -1 |
| 9.71 | QSARToolbox | 0 » -1 |
| 9.71 | QSARToolbox | 0 » -1 |