Molecule ID: mol9692
SMILES: O=C1C[C@H]2C(=O)NC(=O)[C@H]2N1
InChI: InChI=1S/C6H6N2O3/c9-3-1-2-4(7-3)6(11)8-5(2)10/h2,4H,1H2,(H,7,9)(H,8,10,11)/t2-,4+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | QSARToolbox | 0 » -1 |
| 8.15 | IUPAC digitized pKa | 0 » -1 |
| 8.15 | Datawarrior | 0 » -1 |