Molecule ID: mol13373
SMILES: CC1=Nc2ccc(C)cc2N=C(C)C1
InChI: InChI=1S/C12H14N2/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11/h4-6H,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | OCHEM | 1 » 0 |
| 4.00 | Datawarrior | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |