Molecule ID: mol5978
SMILES: N#Cc1ccc(N)c(N)c1
InChI: InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.27 | QSARToolbox | 2 » 1 |
| 1.96 | QSARToolbox | 1 » 0 |
| 2.68 | QSARToolbox | 1 » 0 |
| 2.81 | OCHEM | 1 » 0 |
| 2.93 | IUPAC digitized pKa | 1 » 0 |
| 2.93 | QSARToolbox | 1 » 0 |