Molecule ID: mol1048
SMILES: CCN(C)c1ccccc1
InChI: InChI=1S/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.98 | AttenGpKa training set | 1 » 0 |
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | Datawarrior | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.02 | Hunt | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.20 | QSARToolbox | 1 » 0 |