Molecule ID: mol757
SMILES: CC(C)(C)c1ccc(O)cc1
InChI: InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | Baltruschat ChEMBL | 0 » -1 |
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.17 | IUPAC digitized pKa | 0 » -1 |
| 10.22 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | QSARToolbox | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.23 | Hunt | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.25 | AttenGpKa training set | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | Datawarrior | 0 » -1 |
| 10.27 | OCHEM | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |
| 10.31 | OCHEM | 0 » -1 |
| 10.33 | IUPAC digitized pKa | 0 » -1 |
| 10.39 | IUPAC digitized pKa | 0 » -1 |
| 10.39 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.39 | OCHEM | 0 » -1 |
| 10.39 | OCHEM | 0 » -1 |
| 10.39 | OCHEM | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |
| 10.46 | IUPAC digitized pKa | 0 » -1 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |
| 10.54 | OCHEM | 0 » -1 |
| 10.54 | Baltruschat ChEMBL | 0 » -1 |
| 10.60 | IUPAC digitized pKa | 0 » -1 |