Molecule ID: mol2401
SMILES: CNc1cccc(C)c1
InChI: InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.85 | QSARToolbox | 1 » 0 |
| 4.85 | IUPAC digitized pKa | 1 » 0 |
| 4.93 | OCHEM | 1 » 0 |
| 4.94 | Datawarrior | 1 » 0 |
| 4.94 | AttenGpKa training set | 1 » 0 |
| 4.94 | QSARToolbox | 1 » 0 |
| 4.94 | OCHEM | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | Hunt | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |