Molecule ID: mol1174
SMILES: Nc1ccccc1-c1ccccc1
InChI: InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | AttenGpKa training set | 1 » 0 |
| 3.81 | OCHEM | 1 » 0 |
| 3.81 | Datawarrior | 1 » 0 |
| 3.82 | QSARToolbox | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |
| 3.82 | Hunt | 1 » 0 |
| 3.83 | OCHEM | 1 » 0 |
| 3.83 | QSARToolbox | 1 » 0 |
| 3.83 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.83 | OCHEM | 1 » 0 |
| 3.83 | OCHEM | 1 » 0 |
| 3.85 | QSARToolbox | 1 » 0 |