Molecule ID: mol36453
SMILES: CN1C(=O)NP(=O)(c2ccc([N+](=O)[O-])cc2)NC1=O
InChI: InChI=1S/C9H9N4O5P/c1-12-8(14)10-19(18,11-9(12)15)7-4-2-6(3-5-7)13(16)17/h2-5H,1H3,(H2,10,11,14,15,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | QSARToolbox | 1 » 0 |