Molecule ID: mol1067
SMILES: COC(=O)c1ccccc1N(C)C
InChI: InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 1 » 0 |
| 3.78 | IUPAC digitized pKa | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | Hunt | 1 » 0 |
| 3.78 | OCHEM | 1 » 0 |
| 3.78 | AttenGpKa training set | 1 » 0 |
| 5.55 | Datawarrior | 1 » 0 |
| 5.55 | QSARToolbox | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |