Molecule ID: mol1093
SMILES: Cc1ccccc1N(C)C
InChI: InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.85 | QSARToolbox | 1 » 0 |
| 5.85 | IUPAC digitized pKa | 1 » 0 |
| 5.86 | OCHEM | 1 » 0 |
| 5.86 | OCHEM | 1 » 0 |
| 5.86 | QSARToolbox | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |
| 5.99 | AttenGpKa training set | 1 » 0 |
| 6.00 | Datawarrior | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.11 | IUPAC digitized pKa | 1 » 0 |
| 6.11 | OCHEM | 1 » 0 |
| 6.11 | Hunt | 1 » 0 |
| 6.11 | QSARToolbox | 1 » 0 |
| 6.11 | QSARToolbox | 1 » 0 |
| 7.97 | QSARToolbox | 1 » 0 |