Molecule ID: mol14160
SMILES: ON=C(NO)c1ccccc1
InChI: InChI=1S/C7H8N2O2/c10-8-7(9-11)6-4-2-1-3-5-6/h1-5,10-11H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | Datawarrior | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |