Molecule ID: mol2322
SMILES: Cc1cc(O)ccc1Cl
InChI: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.17 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.22 | IUPAC digitized pKa | 0 » -1 |
| 9.27 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.37 | IUPAC digitized pKa | 0 » -1 |
| 9.40 | OCHEM | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | Datawarrior | 0 » -1 |
| 9.43 | IUPAC digitized pKa | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |
| 9.49 | OCHEM | 0 » -1 |
| 9.52 | AttenGpKa training set | 0 » -1 |
| 9.55 | IUPAC digitized pKa | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | Hunt | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.86 | IUPAC digitized pKa | 0 » -1 |