Molecule ID: mol11891
SMILES: CN(C)Cc1cc(C(C)(C)C)ccc1O
InChI: InChI=1S/C13H21NO/c1-13(2,3)11-6-7-12(15)10(8-11)9-14(4)5/h6-8,15H,9H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | Datawarrior | 1 » 0 |
| 8.55 | OCHEM | 1 » 0 |
| 8.59 | IUPAC digitized pKa | 1 » 0 |
| 8.59 | QSARToolbox | 1 » 0 |
| 11.48 | Datawarrior | 0 » -1 |
| 11.48 | OCHEM | 0 » -1 |
| 11.65 | AttenGpKa training set | 0 » -1 |