Molecule ID: mol10087
SMILES: O=c1ccc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C7H5NO4/c9-6-3-1-5(8(11)12)2-4-7(6)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.64 | IUPAC digitized pKa | 0 » -1 |
| 2.64 | AttenGpKa training set | 0 » -1 |
| 3.21 | IUPAC digitized pKa | 0 » -1 |