Molecule ID: mol12703
SMILES: O=C(O)C(=NO)c1ccccc1
InChI: InChI=1S/C8H7NO3/c10-8(11)7(9-12)6-4-2-1-3-5-6/h1-5,12H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.95 | Datawarrior | -1 » -2 |
| 11.29 | OCHEM | -1 » -2 |
| 11.63 | Datawarrior | -1 » -2 |