Molecule ID: mol5599
SMILES: CC(C)(C)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | IUPAC digitized pKa | 0 » -1 |
| 4.32 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | Datawarrior | 0 » -1 |
| 4.36 | AttenGpKa training set | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | QSARToolbox | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.39 | OCHEM | 0 » -1 |
| 4.40 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.43 | IUPAC digitized pKa | 0 » -1 |
| 4.46 | IUPAC digitized pKa | 0 » -1 |