Molecule ID: mol110
SMILES: CNC(C)C(O)c1ccccc1
InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | OCHEM | 1 » 0 |
| 9.49 | QSARToolbox | 1 » 0 |
| 9.58 | AttenGpKa training set | 1 » 0 |
| 9.65 | Settimo | 1 » 0 |
| 9.68 | OCHEM | 1 » 0 |
| 9.73 | OCHEM | 1 » 0 |
| 9.96 | Datawarrior | 1 » 0 |
| 9.96 | QSARToolbox | 1 » 0 |
| 9.96 | QSARToolbox | 1 » 0 |
| 10.14 | QSARToolbox | 1 » 0 |
| 10.14 | QSARToolbox | 1 » 0 |
| 10.25 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |