Molecule ID: mol6936
SMILES: Cc1nn(C)c(C)c1C
InChI: InChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | IUPAC digitized pKa | 1 » 0 |
| 4.27 | AttenGpKa training set | 1 » 0 |
| 4.48 | Datawarrior | 1 » 0 |
| 4.48 | OCHEM | 1 » 0 |