Molecule ID: mol8835
SMILES: N#Cc1cccc(NN)c1
InChI: InChI=1S/C7H7N3/c8-5-6-2-1-3-7(4-6)10-9/h1-4,10H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.47 | QSARToolbox | 1 » 0 |
| 4.47 | QSARToolbox | 1 » 0 |
| 4.47 | IUPAC digitized pKa | 1 » 0 |
| 4.47 | AttenGpKa training set | 1 » 0 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |