Molecule ID: mol1008
SMILES: N#Cc1ccc(N)cc1
InChI: InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.74 | QSARToolbox | 1 » 0 |
| 1.74 | IUPAC digitized pKa | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.74 | Hunt | 1 » 0 |
| 1.74 | Datawarrior | 1 » 0 |
| 1.74 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.74 | QSARToolbox | 1 » 0 |
| 1.74 | OCHEM | 1 » 0 |
| 1.75 | IUPAC digitized pKa | 1 » 0 |
| 1.75 | QSARToolbox | 1 » 0 |
| 1.75 | QSARToolbox | 1 » 0 |
| 1.79 | AttenGpKa training set | 1 » 0 |