Molecule ID: mol1773
SMILES: CCc1ccc(N)cc1
InChI: InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | QSARToolbox | 1 » 0 |
| 5.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | Hunt | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.06 | QSARToolbox | 1 » 0 |
| 5.06 | AttenGpKa training set | 1 » 0 |
| 5.16 | OCHEM | 1 » 0 |
| 5.16 | QSARToolbox | 1 » 0 |
| 5.16 | Datawarrior | 1 » 0 |