Molecule ID: mol797
SMILES: C[N+](C)(C)CCCc1cccc(O)c1
InChI: InChI=1S/C12H19NO/c1-13(2,3)9-5-7-11-6-4-8-12(14)10-11/h4,6,8,10H,5,7,9H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.64 | IUPAC digitized pKa | 1 » 0 |
| 9.64 | Datawarrior | 1 » 0 |
| 9.64 | Hunt | 1 » 0 |
| 9.64 | AttenGpKa training set | 1 » 0 |
| 9.64 | OCHEM | 1 » 0 |
| 9.64 | QSARToolbox | 1 » 0 |