Molecule ID: mol756
SMILES: CC(C)(C)c1ccccc1O
InChI: InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.28 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.28 | OCHEM | 0 » -1 |
| 10.36 | IUPAC digitized pKa | 0 » -1 |
| 10.40 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.56 | IUPAC digitized pKa | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |
| 10.62 | QSARToolbox | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.62 | Hunt | 0 » -1 |
| 10.62 | OCHEM | 0 » -1 |
| 10.62 | IUPAC digitized pKa | 0 » -1 |
| 10.69 | 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 |
| 11.11 | AttenGpKa training set | 0 » -1 |
| 11.16 | IUPAC digitized pKa | 0 » -1 |
| 11.16 | OCHEM | 0 » -1 |
| 11.25 | OCHEM | 0 » -1 |
| 11.30 | Baltruschat ChEMBL | 0 » -1 |
| 11.33 | IUPAC digitized pKa | 0 » -1 |