Molecule ID: mol4001
SMILES: c1cn[nH]c1
InChI: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.48 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | OCHEM | 1 » 0 |
| 2.48 | OCHEM | 1 » 0 |
| 2.48 | QSARToolbox | 1 » 0 |
| 2.52 | IUPAC digitized pKa | 1 » 0 |
| 2.52 | Baltruschat ChEMBL | 1 » 0 |
| 2.53 | QSARToolbox | 1 » 0 |
| 2.61 | OCHEM | 1 » 0 |
| 2.61 | Datawarrior | 1 » 0 |
| 2.61 | OCHEM | 1 » 0 |
| 2.61 | OCHEM | 1 » 0 |
| 2.63 | AttenGpKa training set | 1 » 0 |
| 2.64 | QSARToolbox | 1 » 0 |
| 2.65 | QSARToolbox | 1 » 0 |
| 2.66 | QSARToolbox | 1 » 0 |
| 2.79 | QSARToolbox | 1 » 0 |
| 14.06 | AttenGpKa training set | 0 » -1 |
| 14.18 | Datawarrior | 0 » -1 |
| 14.18 | OCHEM | 0 » -1 |
| 14.18 | QSARToolbox | 0 » -1 |
| 14.18 | QSARToolbox | 0 » -1 |
| 14.21 | IUPAC digitized pKa | 0 » -1 |