Molecule ID: mol30333
SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C17H13N3O4/c1-11-15(16(21)12-6-5-9-14(10-12)20(23)24)17(22)19(18-11)13-7-3-2-4-8-13/h2-10,15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | AttenGpKa training set | 0 » -1 |