Molecule ID: mol3458
SMILES: CC(C(O)c1ccccc1)N(C)C
InChI: InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.20 | OCHEM | 1 » 0 |
| 9.30 | Datawarrior | 1 » 0 |
| 9.30 | QSARToolbox | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.56 | IUPAC digitized pKa | 1 » 0 |
| 9.76 | IUPAC digitized pKa | 1 » 0 |