Molecule ID: mol1366
SMILES: Cc1cccc(C)c1O
InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.40 | QSARToolbox | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |
| 10.55 | IUPAC digitized pKa | 0 » -1 |
| 10.57 | AttenGpKa training set | 0 » -1 |
| 10.59 | IUPAC digitized pKa | 0 » -1 |
| 10.59 | OCHEM | 0 » -1 |
| 10.59 | OCHEM | 0 » -1 |
| 10.59 | Hunt | 0 » -1 |
| 10.59 | OCHEM | 0 » -1 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.62 | IUPAC digitized pKa | 0 » -1 |
| 10.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.63 | IUPAC digitized pKa | 0 » -1 |
| 10.63 | OCHEM | 0 » -1 |
| 10.65 | IUPAC digitized pKa | 0 » -1 |
| 10.66 | IUPAC digitized pKa | 0 » -1 |
| 10.68 | IUPAC digitized pKa | 0 » -1 |
| 10.76 | IUPAC digitized pKa | 0 » -1 |
| 10.84 | IUPAC digitized pKa | 0 » -1 |
| 10.92 | IUPAC digitized pKa | 0 » -1 |