Molecule ID: mol1740
SMILES: Nc1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | QSARToolbox | 1 » 0 |
| 4.24 | IUPAC digitized pKa | 1 » 0 |
| 4.27 | OCHEM | 1 » 0 |
| 4.27 | OCHEM | 1 » 0 |
| 4.27 | Hunt | 1 » 0 |
| 4.27 | OCHEM | 1 » 0 |
| 4.27 | AttenGpKa training set | 1 » 0 |
| 4.29 | OCHEM | 1 » 0 |
| 4.35 | QSARToolbox | 1 » 0 |
| 4.35 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.35 | OCHEM | 1 » 0 |
| 4.35 | OCHEM | 1 » 0 |
| 4.38 | Datawarrior | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | QSARToolbox | 1 » 0 |