Molecule ID: mol2339
SMILES: C[N+](C)(C)CCc1cccc(O)c1
InChI: InChI=1S/C11H17NO/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.43 | IUPAC digitized pKa | 1 » 0 |
| 9.43 | Datawarrior | 1 » 0 |
| 9.43 | OCHEM | 1 » 0 |
| 9.43 | Hunt | 1 » 0 |
| 9.43 | AttenGpKa training set | 1 » 0 |
| 9.43 | OCHEM | 1 » 0 |
| 9.43 | QSARToolbox | 1 » 0 |