Molecule ID: mol482
SMILES: CCCCOC(=O)c1ccc(O)cc1
InChI: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.18 | AttenGpKa training set | 0 » -1 |
| 8.34 | Datawarrior | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.47 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | Hunt | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | QSARToolbox | 0 » -1 |