Molecule ID: mol1083
SMILES: CCC(C)(C)Nc1ccccc1
InChI: InChI=1S/C11H17N/c1-4-11(2,3)12-10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.55 | Datawarrior | 1 » 0 |
| 6.55 | OCHEM | 1 » 0 |
| 6.56 | AttenGpKa training set | 1 » 0 |
| 6.75 | Hunt | 1 » 0 |
| 6.75 | OCHEM | 1 » 0 |
| 6.75 | QSARToolbox | 1 » 0 |
| 6.76 | QSARToolbox | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |