Molecule ID: mol2078
SMILES: CCNc1ccc(C)cc1
InChI: InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.65 | OCHEM | 1 » 0 |
| 5.67 | AttenGpKa training set | 1 » 0 |
| 5.72 | QSARToolbox | 1 » 0 |
| 5.72 | QSARToolbox | 1 » 0 |
| 5.72 | OCHEM | 1 » 0 |
| 5.72 | IUPAC digitized pKa | 1 » 0 |
| 5.72 | Datawarrior | 1 » 0 |
| 5.72 | OCHEM | 1 » 0 |
| 5.72 | Hunt | 1 » 0 |