Molecule ID: mol6818
SMILES: CC(C)(C)c1cc[nH]n1
InChI: InChI=1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |
| 3.30 | AttenGpKa training set | 1 » 0 |