Molecule ID: mol28072
SMILES: CC(NC(=N)N[N+](=O)[O-])c1ccccc1
InChI: InChI=1S/C9H12N4O2/c1-7(8-5-3-2-4-6-8)11-9(10)12-13(14)15/h2-7H,1H3,(H3,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.46 | AttenGpKa training set | 0 » -1 |
| 11.46 | QSARToolbox | 0 » -1 |