Molecule ID: mol13531
SMILES: c1ccc2c(c1)CCN2
InChI: InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | OCHEM | 1 » 0 |
| 4.90 | OCHEM | 1 » 0 |
| 5.46 | AttenGpKa training set | 1 » 0 |
| 5.49 | OCHEM | 1 » 0 |
| 5.49 | Datawarrior | 1 » 0 |