Molecule ID: mol2079
SMILES: CCC(C)(CC)Nc1ccccc1
InChI: InChI=1S/C12H19N/c1-4-12(3,5-2)13-11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | QSARToolbox | 1 » 0 |
| 6.30 | QSARToolbox | 1 » 0 |
| 6.32 | Datawarrior | 1 » 0 |
| 6.32 | OCHEM | 1 » 0 |
| 6.32 | OCHEM | 1 » 0 |
| 6.34 | Hunt | 1 » 0 |
| 6.34 | AttenGpKa training set | 1 » 0 |
| 6.34 | QSARToolbox | 1 » 0 |
| 6.34 | QSARToolbox | 1 » 0 |