Molecule ID: mol9935
SMILES: O=S(=O)(NBr)c1ccccc1
InChI: InChI=1S/C6H6BrNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.95 | OCHEM | 0 » -1 |
| 4.95 | QSARToolbox | 0 » -1 |
| 4.95 | IUPAC digitized pKa | 0 » -1 |
| 4.95 | Datawarrior | 0 » -1 |