Molecule ID: mol7657
SMILES: Nc1nc[nH]n1
InChI: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | IUPAC digitized pKa | 1 » 0 |
| 4.12 | AttenGpKa training set | 1 » 0 |
| 4.17 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.24 | QSARToolbox | 1 » 0 |
| 4.30 | Datawarrior | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.41 | QSARToolbox | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 10.72 | Datawarrior | 0 » -1 |
| 10.72 | OCHEM | 0 » -1 |
| 10.72 | QSARToolbox | 0 » -1 |
| 11.02 | AttenGpKa training set | 0 » -1 |
| 11.08 | IUPAC digitized pKa | 0 » -1 |
| 11.25 | IUPAC digitized pKa | 0 » -1 |