Molecule ID: mol1068
SMILES: COC(=O)c1cccc(N(C)C)c1
InChI: InChI=1S/C10H13NO2/c1-11(2)9-6-4-5-8(7-9)10(12)13-3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | QSARToolbox | 1 » 0 |
| 3.86 | IUPAC digitized pKa | 1 » 0 |
| 3.86 | Hunt | 1 » 0 |
| 3.86 | OCHEM | 1 » 0 |
| 3.86 | AttenGpKa training set | 1 » 0 |