Molecule ID: mol3701
SMILES: CCc1cccnc1
InChI: InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.47 | QSARToolbox | 1 » 0 |
| 5.56 | QSARToolbox | 1 » 0 |
| 5.56 | QSARToolbox | 1 » 0 |
| 5.56 | IUPAC digitized pKa | 1 » 0 |
| 5.56 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.56 | OCHEM | 1 » 0 |
| 5.56 | OCHEM | 1 » 0 |
| 5.57 | Datawarrior | 1 » 0 |
| 5.57 | OCHEM | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.68 | AttenGpKa training set | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | IUPAC digitized pKa | 1 » 0 |
| 5.70 | OCHEM | 1 » 0 |
| 5.81 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | IUPAC digitized pKa | 1 » 0 |