Molecule ID: mol10307
SMILES: O=C(NO)c1ccc(Br)cc1
InChI: InChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.66 | AttenGpKa training set | 0 » -1 |
| 8.68 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |