Molecule ID: mol1071
SMILES: COc1ccc(N(C)C)cc1
InChI: InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.85 | QSARToolbox | 1 » 0 |
| 5.85 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.85 | AttenGpKa training set | 1 » 0 |
| 5.85 | IUPAC digitized pKa | 1 » 0 |
| 5.85 | Hunt | 1 » 0 |
| 5.85 | QSARToolbox | 1 » 0 |
| 5.86 | Datawarrior | 1 » 0 |
| 5.86 | OCHEM | 1 » 0 |
| 5.87 | OCHEM | 1 » 0 |
| 5.89 | QSARToolbox | 1 » 0 |
| 5.89 | IUPAC digitized pKa | 1 » 0 |
| 5.89 | QSARToolbox | 1 » 0 |