Molecule ID: mol11245
SMILES: CC(C)(C)c1cccc(O)c1
InChI: InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.89 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.08 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | AttenGpKa training set | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | QSARToolbox | 0 » -1 |
| 10.12 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.19 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | IUPAC digitized pKa | 0 » -1 |
| 10.35 | IUPAC digitized pKa | 0 » -1 |