Molecule ID: mol4970
SMILES: c1ncc2[nH]nnc2n1
InChI: InChI=1S/C4H3N5/c1-3-4(6-2-5-1)8-9-7-3/h1-2H,(H,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.03 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.12 | QSARToolbox | 1 » 0 |
| 4.87 | QSARToolbox | 0 » -1 |
| 4.88 | Datawarrior | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |
| 4.96 | IUPAC digitized pKa | 0 » -1 |