Molecule ID: mol8836
SMILES: N#Cc1ccc(NN)cc1
InChI: InChI=1S/C7H7N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4,10H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |
| 4.25 | AttenGpKa training set | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |