Molecule ID: mol6938
SMILES: Cc1n[nH]c(C)c1C
InChI: InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | IUPAC digitized pKa | 1 » 0 |
| 4.63 | AttenGpKa training set | 1 » 0 |
| 4.82 | Datawarrior | 1 » 0 |
| 4.82 | QSARToolbox | 1 » 0 |
| 4.82 | OCHEM | 1 » 0 |
| 15.49 | AttenGpKa training set | 0 » -1 |