Molecule ID: mol35973
SMILES: O=C(NC(Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChI: InChI=1S/C16H13N3O7/c20-15(11-7-12(18(23)24)9-13(8-11)19(25)26)17-14(16(21)22)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2,(H,17,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | QSARToolbox | 0 » -1 |