Molecule ID: mol440
SMILES: Cc1cc(C)c(C)c(O)c1
InChI: InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.57 | AttenGpKa training set | 0 » -1 |
| 10.64 | Datawarrior | 0 » -1 |
| 10.64 | OCHEM | 0 » -1 |
| 10.67 | IUPAC digitized pKa | 0 » -1 |
| 10.67 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.67 | OCHEM | 0 » -1 |
| 10.67 | OCHEM | 0 » -1 |
| 10.69 | IUPAC digitized pKa | 0 » -1 |
| 10.69 | OCHEM | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |
| 10.70 | Hunt | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |
| 10.71 | IUPAC digitized pKa | 0 » -1 |