Molecule ID: mol4285
SMILES: c1c[nH]nn1
InChI: InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.17 | IUPAC digitized pKa | 1 » 0 |
| 1.17 | Baltruschat ChEMBL | 1 » 0 |
| 1.17 | Baltruschat ChEMBL | 1 » 0 |
| 1.31 | AttenGpKa training set | 1 » 0 |
| 8.79 | QSARToolbox | 0 » -1 |
| 9.23 | AttenGpKa training set | 0 » -1 |
| 9.26 | Baltruschat ChEMBL | 0 » -1 |
| 9.40 | AttenGpKa training set | 0 » -1 |
| 9.51 | IUPAC digitized pKa | 0 » -1 |