Molecule ID: mol3702
SMILES: CCc1ccncc1
InChI: InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.43 | QSARToolbox | 1 » 0 |
| 5.51 | QSARToolbox | 1 » 0 |
| 5.75 | QSARToolbox | 1 » 0 |
| 5.77 | QSARToolbox | 1 » 0 |
| 5.81 | QSARToolbox | 1 » 0 |
| 5.87 | QSARToolbox | 1 » 0 |
| 5.87 | QSARToolbox | 1 » 0 |
| 5.87 | IUPAC digitized pKa | 1 » 0 |
| 5.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 5.94 | Datawarrior | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |
| 5.95 | AttenGpKa training set | 1 » 0 |
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.03 | IUPAC digitized pKa | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 6.20 | QSARToolbox | 1 » 0 |
| 6.20 | QSARToolbox | 1 » 0 |
| 6.67 | QSARToolbox | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |