Molecule ID: mol4307
SMILES: Cc1ccccc1-n1nnnc1N
InChI: InChI=1S/C8H9N5/c1-6-4-2-3-5-7(6)13-8(9)10-11-12-13/h2-5H,1H3,(H2,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.23 | Datawarrior | 1 » 0 |
| 1.23 | OCHEM | 1 » 0 |
| 1.23 | AttenGpKa training set | 1 » 0 |
| 1.23 | QSARToolbox | 1 » 0 |