Molecule ID: mol4413
SMILES: Cc1ccc2nc(C)ccc2c1
InChI: InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.46 | IUPAC digitized pKa | 1 » 0 |
| 5.46 | OCHEM | 1 » 0 |
| 5.46 | OCHEM | 1 » 0 |
| 5.46 | QSARToolbox | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |
| 5.85 | OCHEM | 1 » 0 |
| 5.85 | Datawarrior | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.10 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | OCHEM | 1 » 0 |
| 8.54 | QSARToolbox | 1 » 0 |