Molecule ID: mol4049
SMILES: Cc1nnc(C)c(C)c1C
InChI: InChI=1S/C8H12N2/c1-5-6(2)8(4)10-9-7(5)3/h1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.06 | OCHEM | 1 » 0 |
| 5.36 | IUPAC digitized pKa | 1 » 0 |
| 5.36 | Datawarrior | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.36 | QSARToolbox | 1 » 0 |
| 5.36 | QSARToolbox | 1 » 0 |