Molecule ID: mol10947
SMILES: O=C(O)c1ccc2[nH]ccc2c1
InChI: InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | QSARToolbox | 0 » -1 |
| 3.78 | QSARToolbox | 0 » -1 |
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | Datawarrior | 0 » -1 |
| 16.45 | QSARToolbox | -1 » -2 |
| 16.92 | IUPAC digitized pKa | -1 » -2 |