Molecule ID: mol10992
SMILES: O=C(O)CCc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | IUPAC digitized pKa | 0 » -1 |
| 4.53 | OCHEM | 0 » -1 |
| 4.53 | AttenGpKa training set | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |
| 4.53 | QSARToolbox | 0 » -1 |