Molecule ID: mol1407
SMILES: Oc1ccccc1Cl
InChI: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.11 | QSARToolbox | 0 » -1 |
| 8.11 | OCHEM | 0 » -1 |
| 8.11 | Hunt | 0 » -1 |
| 8.23 | QSARToolbox | 0 » -1 |
| 8.25 | IUPAC digitized pKa | 0 » -1 |
| 8.29 | OCHEM | 0 » -1 |
| 8.32 | QSARToolbox | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.40 | Datawarrior | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.43 | IUPAC digitized pKa | 0 » -1 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | IUPAC digitized pKa | 0 » -1 |
| 8.49 | QSARToolbox | 0 » -1 |
| 8.50 | Baltruschat ChEMBL | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |
| 8.52 | OCHEM | 0 » -1 |
| 8.53 | IUPAC digitized pKa | 0 » -1 |
| 8.53 | QSARToolbox | 0 » -1 |
| 8.53 | IUPAC digitized pKa | 0 » -1 |
| 8.54 | OCHEM | 0 » -1 |
| 8.55 | OCHEM | 0 » -1 |
| 8.55 | OCHEM | 0 » -1 |
| 8.56 | IUPAC digitized pKa | 0 » -1 |
| 8.56 | QSARToolbox | 0 » -1 |
| 8.56 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | OCHEM | 0 » -1 |
| 8.56 | QSARToolbox | 0 » -1 |
| 8.57 | IUPAC digitized pKa | 0 » -1 |
| 8.61 | IUPAC digitized pKa | 0 » -1 |
| 8.63 | IUPAC digitized pKa | 0 » -1 |
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | IUPAC digitized pKa | 0 » -1 |
| 8.77 | IUPAC digitized pKa | 0 » -1 |
| 8.83 | IUPAC digitized pKa | 0 » -1 |
| 9.13 | Baltruschat ChEMBL | 0 » -1 |