Molecule ID: mol11213
SMILES: CC(C)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | QSARToolbox | 0 » -1 |
| 4.31 | OCHEM | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | IUPAC digitized pKa | 0 » -1 |
| 4.31 | Datawarrior | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |