Molecule ID: mol2015
SMILES: Cc1cc(O)cc(C)c1Cl
InChI: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.41 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.57 | IUPAC digitized pKa | 0 » -1 |
| 9.63 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |
| 9.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Hunt | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.93 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.34 | AttenGpKa training set | 0 » -1 |