Molecule ID: mol13085
SMILES: O=C(O)c1ccc[nH]c1=O
InChI: InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.28 | Datawarrior | 0 » -1 |
| 5.28 | OCHEM | 0 » -1 |
| 5.28 | QSARToolbox | 0 » -1 |
| 5.28 | QSARToolbox | 0 » -1 |