Molecule ID: mol28073
SMILES: N=C(NCCc1ccccc1)N[N+](=O)[O-]
InChI: InChI=1S/C9H12N4O2/c10-9(12-13(14)15)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.25 | QSARToolbox | 0 » -1 |
| 12.25 | AttenGpKa training set | 0 » -1 |