Molecule ID: mol1369
SMILES: Cc1cc(C)c(O)c(C)c1
InChI: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.80 | AttenGpKa training set | 0 » -1 |
| 10.86 | IUPAC digitized pKa | 0 » -1 |
| 10.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.86 | OCHEM | 0 » -1 |
| 10.86 | OCHEM | 0 » -1 |
| 10.88 | OCHEM | 0 » -1 |
| 10.88 | OCHEM | 0 » -1 |
| 10.88 | OCHEM | 0 » -1 |
| 10.88 | Hunt | 0 » -1 |
| 10.88 | OCHEM | 0 » -1 |
| 10.89 | IUPAC digitized pKa | 0 » -1 |
| 10.90 | QSARToolbox | 0 » -1 |
| 10.90 | Datawarrior | 0 » -1 |
| 10.90 | OCHEM | 0 » -1 |
| 10.90 | OCHEM | 0 » -1 |
| 10.90 | OCHEM | 0 » -1 |
| 10.90 | OCHEM | 0 » -1 |
| 10.90 | Baltruschat ChEMBL | 0 » -1 |
| 10.99 | IUPAC digitized pKa | 0 » -1 |