Molecule ID: mol1027
SMILES: CC(C)N(c1ccccc1)C(C)C
InChI: InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.19 | Datawarrior | 1 » 0 |
| 6.19 | OCHEM | 1 » 0 |
| 7.37 | QSARToolbox | 1 » 0 |
| 7.37 | QSARToolbox | 1 » 0 |
| 7.37 | OCHEM | 1 » 0 |
| 7.37 | Hunt | 1 » 0 |
| 7.37 | OCHEM | 1 » 0 |
| 7.92 | AttenGpKa training set | 1 » 0 |
| 8.14 | IUPAC digitized pKa | 1 » 0 |
| 8.14 | QSARToolbox | 1 » 0 |