Molecule ID: mol3658
SMILES: N#Cc1cccnc1
InChI: InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.17 | QSARToolbox | 1 » 0 |
| 1.35 | IUPAC digitized pKa | 1 » 0 |
| 1.36 | IUPAC digitized pKa | 1 » 0 |
| 1.36 | QSARToolbox | 1 » 0 |
| 1.38 | OCHEM | 1 » 0 |
| 1.39 | QSARToolbox | 1 » 0 |
| 1.39 | IUPAC digitized pKa | 1 » 0 |
| 1.39 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.45 | OCHEM | 1 » 0 |
| 1.45 | OCHEM | 1 » 0 |
| 1.45 | AttenGpKa training set | 1 » 0 |
| 1.45 | QSARToolbox | 1 » 0 |
| 1.45 | QSARToolbox | 1 » 0 |
| 1.48 | Datawarrior | 1 » 0 |
| 1.48 | OCHEM | 1 » 0 |
| 1.50 | QSARToolbox | 1 » 0 |
| 1.55 | QSARToolbox | 1 » 0 |
| 1.60 | QSARToolbox | 1 » 0 |
| 1.85 | QSARToolbox | 1 » 0 |