Molecule ID: mol4276
SMILES: Nc1nc(N)nc(N)n1
InChI: InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.02 | QSARToolbox | 1 » 0 |
| 5.06 | OCHEM | 1 » 0 |
| 5.06 | Datawarrior | 1 » 0 |
| 5.10 | QSARToolbox | 1 » 0 |
| 5.10 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | IUPAC digitized pKa | 1 » 0 |
| 5.13 | QSARToolbox | 1 » 0 |
| 5.16 | QSARToolbox | 1 » 0 |
| 5.16 | AttenGpKa training set | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |