Molecule ID: mol35756
SMILES: O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1
InChI: InChI=1S/C15H10N4O5/c20-14-8-16-15(10-3-1-2-4-13(10)19(23)24)11-7-9(18(21)22)5-6-12(11)17-14/h1-7H,8H2,(H,17,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.92 | QSARToolbox | 1 » 0 |
| 10.45 | QSARToolbox | 0 » -1 |