Molecule ID: mol12595
SMILES: ON=C(Cc1ccccc1)NO
InChI: InChI=1S/C8H10N2O2/c11-9-8(10-12)6-7-4-2-1-3-5-7/h1-5,11-12H,6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | Datawarrior | 1 » 0 |
| 4.25 | OCHEM | 1 » 0 |
| 4.25 | QSARToolbox | 1 » 0 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | Datawarrior | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |