Molecule ID: mol3700
SMILES: CCc1ccccn1
InChI: InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | QSARToolbox | 1 » 0 |
| 5.89 | QSARToolbox | 1 » 0 |
| 5.89 | IUPAC digitized pKa | 1 » 0 |
| 5.89 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.89 | OCHEM | 1 » 0 |
| 5.89 | OCHEM | 1 » 0 |
| 5.89 | OCHEM | 1 » 0 |
| 5.89 | OCHEM | 1 » 0 |
| 5.89 | AttenGpKa training set | 1 » 0 |
| 5.92 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | IUPAC digitized pKa | 1 » 0 |
| 5.97 | Baltruschat ChEMBL | 1 » 0 |
| 5.98 | Datawarrior | 1 » 0 |
| 5.98 | OCHEM | 1 » 0 |
| 5.98 | OCHEM | 1 » 0 |
| 5.99 | QSARToolbox | 1 » 0 |
| 5.99 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.12 | QSARToolbox | 1 » 0 |