Molecule ID: mol1409
SMILES: Oc1ccc(Cl)cc1
InChI: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.02 | QSARToolbox | 0 » -1 |
| 9.02 | QSARToolbox | 0 » -1 |
| 9.04 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | QSARToolbox | 0 » -1 |
| 9.05 | QSARToolbox | 0 » -1 |
| 9.10 | IUPAC digitized pKa | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.12 | QSARToolbox | 0 » -1 |
| 9.16 | QSARToolbox | 0 » -1 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |
| 9.16 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |
| 9.26 | Baltruschat ChEMBL | 0 » -1 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |
| 9.29 | QSARToolbox | 0 » -1 |
| 9.29 | QSARToolbox | 0 » -1 |
| 9.29 | Datawarrior | 0 » -1 |
| 9.29 | OCHEM | 0 » -1 |
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.37 | OCHEM | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.37 | QSARToolbox | 0 » -1 |
| 9.38 | IUPAC digitized pKa | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | Baltruschat ChEMBL | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | QSARToolbox | 0 » -1 |
| 9.41 | QSARToolbox | 0 » -1 |
| 9.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |
| 9.42 | IUPAC digitized pKa | 0 » -1 |
| 9.42 | OCHEM | 0 » -1 |
| 9.42 | Hunt | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.43 | OCHEM | 0 » -1 |
| 9.43 | OCHEM | 0 » -1 |
| 9.56 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 10.18 | QSARToolbox | 0 » -1 |
| 10.18 | QSARToolbox | 0 » -1 |
| 10.18 | QSARToolbox | 0 » -1 |
| 10.18 | QSARToolbox | 0 » -1 |
| 10.93 | QSARToolbox | 0 » -1 |
| 11.52 | QSARToolbox | 0 » -1 |
| 11.52 | QSARToolbox | 0 » -1 |
| 11.52 | QSARToolbox | 0 » -1 |
| 11.52 | QSARToolbox | 0 » -1 |