Molecule ID: mol1057
SMILES: CC(C)CNc1ccccc1
InChI: InChI=1S/C10H15N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | QSARToolbox | 1 » 0 |
| 4.43 | QSARToolbox | 1 » 0 |
| 4.43 | OCHEM | 1 » 0 |
| 4.43 | Hunt | 1 » 0 |
| 4.67 | QSARToolbox | 1 » 0 |
| 4.84 | Datawarrior | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |
| 6.19 | AttenGpKa training set | 1 » 0 |