Molecule ID: mol1221
SMILES: CCNc1cccc2ccccc12
InChI: InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | Datawarrior | 1 » 0 |
| 4.19 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.19 | Hunt | 1 » 0 |
| 4.19 | OCHEM | 1 » 0 |
| 4.19 | QSARToolbox | 1 » 0 |
| 4.19 | QSARToolbox | 1 » 0 |
| 4.19 | OCHEM | 1 » 0 |
| 4.24 | AttenGpKa training set | 1 » 0 |