Molecule ID: mol11168
SMILES: O=S(=O)(O)c1cc(Br)c2cccnc2c1O
InChI: InChI=1S/C9H6BrNO4S/c10-6-4-7(16(13,14)15)9(12)8-5(6)2-1-3-11-8/h1-4,12H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 6.91 | IUPAC digitized pKa | -1 » -2 |
| 8.56 | IUPAC digitized pKa | -1 » -2 |