Molecule ID: mol37826
SMILES: O=C(O)[C@H]1NC[C@@H]2C(O)=NO[C@@H]21
InChI: InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 5.10 | QSARToolbox | 0 » -1 |