Molecule ID: mol2340
SMILES: C[N+](C)(C)CCc1ccc(O)cc1
InChI: InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | Datawarrior | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |
| 9.80 | Hunt | 1 » 0 |
| 9.80 | AttenGpKa training set | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |