Molecule ID: mol30773
SMILES: O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1
InChI: InChI=1S/C14H11NO3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.13 | QSARToolbox | 0 » -1 |
| 9.39 | AttenGpKa training set | 0 » -1 |