Molecule ID: mol1219
SMILES: CN(C)c1cccc2ccccc12
InChI: InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.79 | AttenGpKa training set | 1 » 0 |
| 4.83 | OCHEM | 1 » 0 |
| 4.83 | QSARToolbox | 1 » 0 |
| 4.83 | QSARToolbox | 1 » 0 |
| 4.83 | Datawarrior | 1 » 0 |
| 4.83 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.83 | OCHEM | 1 » 0 |
| 4.83 | Hunt | 1 » 0 |
| 4.83 | OCHEM | 1 » 0 |