Molecule ID: mol1336
SMILES: Nc1ncccn1
InChI: InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.79 | QSARToolbox | 1 » 0 |
| 3.30 | OCHEM | 1 » 0 |
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.45 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | Hunt | 1 » 0 |
| 3.45 | OCHEM | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | Datawarrior | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.65 | AttenGpKa training set | 1 » 0 |
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.67 | IUPAC digitized pKa | 1 » 0 |
| 3.89 | QSARToolbox | 1 » 0 |