Molecule ID: mol2459
SMILES: Cc1ccc(O)c(C)c1
InChI: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.42 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | OCHEM | 0 » -1 |
| 10.45 | Hunt | 0 » -1 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |
| 10.56 | Datawarrior | 0 » -1 |
| 10.56 | OCHEM | 0 » -1 |
| 10.58 | OCHEM | 0 » -1 |
| 10.58 | OCHEM | 0 » -1 |
| 10.60 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.61 | AttenGpKa training set | 0 » -1 |
| 10.63 | IUPAC digitized pKa | 0 » -1 |
| 10.67 | IUPAC digitized pKa | 0 » -1 |
| 10.75 | IUPAC digitized pKa | 0 » -1 |
| 10.82 | IUPAC digitized pKa | 0 » -1 |
| 10.92 | IUPAC digitized pKa | 0 » -1 |