Molecule ID: mol1086
SMILES: CCCNc1ccccc1
InChI: InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | QSARToolbox | 1 » 0 |
| 4.79 | OCHEM | 1 » 0 |
| 4.79 | Hunt | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |
| 5.04 | QSARToolbox | 1 » 0 |
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Datawarrior | 1 » 0 |
| 5.23 | AttenGpKa training set | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |