Molecule ID: mol6937
SMILES: Cc1cc(C)n(C)n1
InChI: InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | AttenGpKa training set | 1 » 0 |
| 3.96 | Datawarrior | 1 » 0 |
| 3.96 | OCHEM | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |