Molecule ID: mol5137
SMILES: C1N2CN3CN1CN(C2)C3
InChI: InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.70 | Datawarrior | 4 » 3 |
| 4.85 | QSARToolbox | 2 » 1 |
| 4.95 | OCHEM | 2 » 1 |
| 4.95 | Datawarrior | 2 » 1 |
| 5.13 | AttenGpKa training set | 2 » 1 |
| 5.13 | QSARToolbox | 2 » 1 |
| 5.18 | IUPAC digitized pKa | 2 » 1 |
| 6.30 | IUPAC digitized pKa | 1 » 0 |
| 8.87 | QSARToolbox | 1 » 0 |