Molecule ID: mol11089
SMILES: C[N+](C)(C)c1ccccc1O
InChI: InChI=1S/C9H13NO/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | QSARToolbox | 1 » 0 |
| 7.43 | QSARToolbox | 1 » 0 |
| 7.43 | QSARToolbox | 1 » 0 |
| 7.43 | IUPAC digitized pKa | 1 » 0 |
| 7.43 | IUPAC digitized pKa | 1 » 0 |
| 7.43 | AttenGpKa training set | 1 » 0 |
| 7.46 | Datawarrior | 1 » 0 |
| 7.46 | OCHEM | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |