Molecule ID: mol758
SMILES: Cc1ccc(C(C)C)c(O)c1
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.34 | OCHEM | 0 » -1 |
| 10.49 | AttenGpKa training set | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | Baltruschat ChEMBL | 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 |
| 10.62 | Hunt | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.70 | Baltruschat ChEMBL | 0 » -1 |