Molecule ID: mol4877
SMILES: CN(C)c1nc2ncncc2[nH]1
InChI: InChI=1S/C7H9N5/c1-12(2)7-10-5-3-8-4-9-6(5)11-7/h3-4H,1-2H3,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | IUPAC digitized pKa | 1 » 0 |
| 4.80 | Datawarrior | 1 » 0 |
| 4.80 | AttenGpKa training set | 1 » 0 |
| 4.80 | QSARToolbox | 1 » 0 |
| 4.80 | OCHEM | 1 » 0 |
| 9.73 | OCHEM | 0 » -1 |
| 9.73 | Datawarrior | 0 » -1 |
| 9.73 | AttenGpKa training set | 0 » -1 |
| 9.77 | IUPAC digitized pKa | 0 » -1 |