Molecule ID: mol1085
SMILES: CCCOC(=O)c1ccc(N)cc1
InChI: InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.49 | IUPAC digitized pKa | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | Hunt | 1 » 0 |
| 2.49 | AttenGpKa training set | 1 » 0 |
| 2.49 | Datawarrior | 1 » 0 |
| 2.49 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | QSARToolbox | 1 » 0 |
| 2.49 | QSARToolbox | 1 » 0 |