Molecule ID: mol958
SMILES: CCCOc1ccc(C(=O)O)cc1
InChI: InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | QSARToolbox | 0 » -1 |
| 4.63 | Datawarrior | 0 » -1 |
| 4.63 | OCHEM | 0 » -1 |
| 4.78 | OCHEM | 0 » -1 |
| 4.78 | Hunt | 0 » -1 |
| 4.78 | OCHEM | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |