Molecule ID: mol1408
SMILES: Oc1cccc(Cl)c1
InChI: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.76 | IUPAC digitized pKa | 0 » -1 |
| 8.76 | QSARToolbox | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |
| 8.78 | OCHEM | 0 » -1 |
| 8.78 | IUPAC digitized pKa | 0 » -1 |
| 8.79 | QSARToolbox | 0 » -1 |
| 8.79 | QSARToolbox | 0 » -1 |
| 8.79 | OCHEM | 0 » -1 |
| 8.80 | IUPAC digitized pKa | 0 » -1 |
| 8.83 | IUPAC digitized pKa | 0 » -1 |
| 8.84 | QSARToolbox | 0 » -1 |
| 8.84 | QSARToolbox | 0 » -1 |
| 8.88 | IUPAC digitized pKa | 0 » -1 |
| 8.94 | IUPAC digitized pKa | 0 » -1 |
| 8.94 | QSARToolbox | 0 » -1 |
| 8.94 | QSARToolbox | 0 » -1 |
| 8.96 | Datawarrior | 0 » -1 |
| 8.96 | OCHEM | 0 » -1 |
| 9.00 | IUPAC digitized pKa | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.06 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |
| 9.08 | QSARToolbox | 0 » -1 |
| 9.08 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | OCHEM | 0 » -1 |
| 9.08 | Hunt | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.12 | IUPAC digitized pKa | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | OCHEM | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | QSARToolbox | 0 » -1 |
| 9.19 | IUPAC digitized pKa | 0 » -1 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |
| 10.64 | QSARToolbox | 0 » -1 |