Molecule ID: mol796
SMILES: C[N+](C)(C)CCCc1ccccc1O
InChI: InChI=1S/C12H19NO/c1-13(2,3)10-6-8-11-7-4-5-9-12(11)14/h4-5,7,9H,6,8,10H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.78 | OCHEM | 1 » 0 |
| 9.78 | QSARToolbox | 1 » 0 |
| 9.78 | IUPAC digitized pKa | 1 » 0 |
| 9.78 | Datawarrior | 1 » 0 |
| 9.78 | Hunt | 1 » 0 |
| 9.78 | AttenGpKa training set | 1 » 0 |