Molecule ID: mol4362
SMILES: Cc1cc(C)c2nc(C)cc(N)c2c1
InChI: InChI=1S/C12H14N2/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3,(H2,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | QSARToolbox | 2 » 1 |
| 10.40 | QSARToolbox | 1 » 0 |
| 10.40 | Datawarrior | 1 » 0 |
| 10.40 | OCHEM | 1 » 0 |
| 10.40 | OCHEM | 1 » 0 |
| 10.40 | AttenGpKa training set | 1 » 0 |