Molecule ID: mol30332
SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C17H13N3O4/c1-11-15(16(21)12-7-9-14(10-8-12)20(23)24)17(22)19(18-11)13-5-3-2-4-6-13/h2-10,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | AttenGpKa training set | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |