Molecule ID: mol3659
SMILES: N#Cc1ccncc1
InChI: InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.99 | QSARToolbox | 1 » 0 |
| 1.48 | QSARToolbox | 1 » 0 |
| 1.86 | IUPAC digitized pKa | 1 » 0 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 1.90 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.90 | OCHEM | 1 » 0 |
| 1.91 | Datawarrior | 1 » 0 |
| 1.91 | OCHEM | 1 » 0 |
| 2.05 | AttenGpKa training set | 1 » 0 |
| 2.19 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |