Molecule ID: mol25449
SMILES: CC(C)(C)c1cc(C(C)(C)C)[nH]n1
InChI: InChI=1S/C11H20N2/c1-10(2,3)8-7-9(13-12-8)11(4,5)6/h7H,1-6H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | AttenGpKa training set | 1 » 0 |
| 15.13 | AttenGpKa training set | 0 » -1 |