Molecule ID: mol1059
SMILES: CC(C)Nc1ccccc1
InChI: InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.30 | AttenGpKa training set | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.40 | QSARToolbox | 1 » 0 |
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | OCHEM | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.64 | OCHEM | 1 » 0 |
| 5.67 | Datawarrior | 1 » 0 |
| 5.67 | OCHEM | 1 » 0 |
| 5.77 | QSARToolbox | 1 » 0 |
| 5.77 | QSARToolbox | 1 » 0 |
| 5.77 | OCHEM | 1 » 0 |
| 5.77 | Hunt | 1 » 0 |