Molecule ID: mol6474
SMILES: CN(C)c1cccnc1
InChI: InChI=1S/C7H10N2/c1-9(2)7-4-3-5-8-6-7/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.91 | Datawarrior | 2 » 1 |
| -1.91 | AttenGpKa training set | 2 » 1 |
| 6.45 | IUPAC digitized pKa | 1 » 0 |
| 6.46 | IUPAC digitized pKa | 1 » 0 |
| 6.67 | Datawarrior | 1 » 0 |
| 6.67 | QSARToolbox | 1 » 0 |
| 6.67 | OCHEM | 1 » 0 |