Molecule ID: mol3640
SMILES: CC(C)(C)c1ccccn1
InChI: InChI=1S/C9H13N/c1-9(2,3)8-6-4-5-7-10-8/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | QSARToolbox | 1 » 0 |
| 5.72 | OCHEM | 1 » 0 |
| 5.72 | Datawarrior | 1 » 0 |
| 5.76 | IUPAC digitized pKa | 1 » 0 |
| 5.76 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.76 | OCHEM | 1 » 0 |
| 5.76 | OCHEM | 1 » 0 |
| 5.76 | OCHEM | 1 » 0 |
| 5.76 | OCHEM | 1 » 0 |
| 5.76 | OCHEM | 1 » 0 |
| 5.76 | AttenGpKa training set | 1 » 0 |
| 5.76 | QSARToolbox | 1 » 0 |
| 5.76 | QSARToolbox | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |