Molecule ID: mol3781
SMILES: CCCc1ccccn1
InChI: InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | OCHEM | 1 » 0 |
| 5.97 | IUPAC digitized pKa | 1 » 0 |
| 5.97 | Datawarrior | 1 » 0 |
| 5.97 | OCHEM | 1 » 0 |
| 5.97 | Baltruschat ChEMBL | 1 » 0 |
| 6.14 | AttenGpKa training set | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |