Molecule ID: mol4450
SMILES: Cc1cnc2ccccc2c1
InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 1 » 0 |
| 4.54 | IUPAC digitized pKa | 1 » 0 |
| 4.81 | QSARToolbox | 1 » 0 |
| 5.14 | QSARToolbox | 1 » 0 |
| 5.14 | IUPAC digitized pKa | 1 » 0 |
| 5.14 | AttenGpKa training set | 1 » 0 |
| 5.15 | Datawarrior | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 5.16 | OCHEM | 1 » 0 |
| 5.17 | IUPAC digitized pKa | 1 » 0 |
| 5.17 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | OCHEM | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 5.17 | QSARToolbox | 1 » 0 |
| 8.86 | QSARToolbox | 1 » 0 |