Molecule ID: mol4876
SMILES: CN(C)c1ncnc2nc[nH]c12
InChI: InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | IUPAC digitized pKa | 1 » 0 |
| 3.87 | QSARToolbox | 1 » 0 |
| 3.87 | OCHEM | 1 » 0 |
| 3.87 | Datawarrior | 1 » 0 |
| 3.87 | AttenGpKa training set | 1 » 0 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | Datawarrior | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |
| 10.50 | QSARToolbox | 0 » -1 |
| 10.50 | AttenGpKa training set | 0 » -1 |