Molecule ID: mol1190
SMILES: Nc1cccc2ccccc12
InChI: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.86 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | Datawarrior | 1 » 0 |
| 3.92 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.92 | Hunt | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.92 | QSARToolbox | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 3.94 | IUPAC digitized pKa | 1 » 0 |
| 3.94 | OCHEM | 1 » 0 |
| 3.96 | IUPAC digitized pKa | 1 » 0 |
| 3.96 | AttenGpKa training set | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |