Molecule ID: mol4314
SMILES: CN1C(=N)C(C)(C)c2ccccc21
InChI: InChI=1S/C11H14N2/c1-11(2)8-6-4-5-7-9(8)13(3)10(11)12/h4-7,12H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.25 | IUPAC digitized pKa | 1 » 0 |
| 9.25 | Datawarrior | 1 » 0 |
| 9.25 | OCHEM | 1 » 0 |
| 9.26 | AttenGpKa training set | 1 » 0 |