Molecule ID: mol7896
SMILES: CC(C)C1NC=Nc2ccccc21
InChI: InChI=1S/C11H14N2/c1-8(2)11-9-5-3-4-6-10(9)12-7-13-11/h3-8,11H,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.16 | IUPAC digitized pKa | 1 » 0 |
| 9.21 | AttenGpKa training set | 1 » 0 |