Molecule ID: mol768
SMILES: C[N+](C)(C)CCc1ccccc1O
InChI: InChI=1S/C11H17NO/c1-12(2,3)9-8-10-6-4-5-7-11(10)13/h4-7H,8-9H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.57 | QSARToolbox | 1 » 0 |
| 9.57 | OCHEM | 1 » 0 |
| 9.57 | IUPAC digitized pKa | 1 » 0 |
| 9.57 | Datawarrior | 1 » 0 |
| 9.57 | Hunt | 1 » 0 |
| 9.57 | AttenGpKa training set | 1 » 0 |