Molecule ID: mol1846
SMILES: COC(=O)C1=CCCN(C)C1
InChI: InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | QSARToolbox | 1 » 0 |
| 7.16 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.16 | OCHEM | 1 » 0 |
| 7.16 | OCHEM | 1 » 0 |
| 7.41 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | Datawarrior | 1 » 0 |
| 7.55 | OCHEM | 1 » 0 |
| 7.64 | IUPAC digitized pKa | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.64 | Hunt | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |