Molecule ID: mol2418
SMILES: CCc1ccc(CC(=O)O)cc1
InChI: InChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | Hunt | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | AttenGpKa training set | 0 » -1 |