Molecule ID: mol4449
SMILES: Cc1ccc2ccccc2n1
InChI: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | IUPAC digitized pKa | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.56 | AttenGpKa training set | 1 » 0 |
| 5.69 | IUPAC digitized pKa | 1 » 0 |
| 5.69 | Datawarrior | 1 » 0 |
| 5.69 | OCHEM | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 5.71 | IUPAC digitized pKa | 1 » 0 |
| 5.71 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.83 | QSARToolbox | 1 » 0 |
| 5.83 | IUPAC digitized pKa | 1 » 0 |
| 8.26 | QSARToolbox | 1 » 0 |
| 8.35 | QSARToolbox | 1 » 0 |
| 8.58 | QSARToolbox | 1 » 0 |