Molecule ID: mol11808
SMILES: C[N+](C)(C)CCCc1ccc(O)cc1
InChI: InChI=1S/C12H19NO/c1-13(2,3)10-4-5-11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | Datawarrior | 1 » 0 |
| 9.80 | AttenGpKa training set | 1 » 0 |
| 9.80 | QSARToolbox | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |