Molecule ID: mol987
SMILES: CCCCOC(=O)c1ccc(N)cc1
InChI: InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.47 | Datawarrior | 1 » 0 |
| 2.47 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.47 | OCHEM | 1 » 0 |
| 2.47 | QSARToolbox | 1 » 0 |
| 2.47 | QSARToolbox | 1 » 0 |
| 2.47 | IUPAC digitized pKa | 1 » 0 |
| 2.47 | OCHEM | 1 » 0 |
| 2.47 | OCHEM | 1 » 0 |
| 2.47 | Hunt | 1 » 0 |
| 2.47 | OCHEM | 1 » 0 |
| 2.47 | OCHEM | 1 » 0 |
| 2.47 | AttenGpKa training set | 1 » 0 |
| 5.38 | QSARToolbox | 1 » 0 |