Molecule ID: mol1096
SMILES: Cc1ccc(N(C)C)cc1
InChI: InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | AttenGpKa training set | 1 » 0 |
| 5.56 | OCHEM | 1 » 0 |
| 5.56 | QSARToolbox | 1 » 0 |
| 5.56 | QSARToolbox | 1 » 0 |
| 5.56 | IUPAC digitized pKa | 1 » 0 |
| 5.56 | Datawarrior | 1 » 0 |
| 5.61 | QSARToolbox | 1 » 0 |
| 5.61 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | QSARToolbox | 1 » 0 |
| 5.63 | QSARToolbox | 1 » 0 |
| 5.63 | IUPAC digitized pKa | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.63 | Hunt | 1 » 0 |
| 5.63 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.63 | OCHEM | 1 » 0 |
| 5.63 | QSARToolbox | 1 » 0 |
| 8.38 | QSARToolbox | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |