Molecule ID: mol4606
SMILES: CC(C)(C)C1NC=Nc2ccccc21
InChI: InChI=1S/C12H16N2/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11/h4-8,11H,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | AttenGpKa training set | 0 » -1 |