Molecule ID: mol2412
SMILES: CCCN(C)c1ccccc1
InChI: InChI=1S/C10H15N/c1-3-9-11(2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.64 | AttenGpKa training set | 1 » 0 |
| 5.67 | Datawarrior | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.76 | Hunt | 1 » 0 |