Molecule ID: mol4422
SMILES: O=S(=O)(O)c1cc(I)c(O)c2ncccc12
InChI: InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.22 | IUPAC digitized pKa | 0 » -1 |
| 2.41 | IUPAC digitized pKa | 0 » -1 |
| 2.42 | IUPAC digitized pKa | 0 » -1 |
| 2.42 | QSARToolbox | 0 » -1 |
| 2.45 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 2.51 | AttenGpKa training set | 0 » -1 |
| 2.51 | QSARToolbox | 0 » -1 |
| 2.51 | QSARToolbox | 0 » -1 |
| 2.51 | QSARToolbox | 0 » -1 |
| 2.51 | OCHEM | 0 » -1 |
| 2.51 | OCHEM | 0 » -1 |
| 2.51 | QSARToolbox | 0 » -1 |
| 2.51 | IUPAC digitized pKa | 0 » -1 |
| 2.61 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 6.46 | IUPAC digitized pKa | -1 » -2 |
| 6.90 | IUPAC digitized pKa | -1 » -2 |
| 7.10 | IUPAC digitized pKa | -1 » -2 |
| 7.11 | IUPAC digitized pKa | -1 » -2 |
| 7.15 | IUPAC digitized pKa | -1 » -2 |
| 7.15 | OCHEM | -1 » -2 |
| 7.15 | AttenGpKa training set | -1 » -2 |
| 7.27 | IUPAC digitized pKa | -1 » -2 |
| 7.27 | QSARToolbox | -1 » -2 |
| 7.27 | QSARToolbox | -1 » -2 |
| 7.42 | QSARToolbox | -1 » -2 |
| 7.42 | IUPAC digitized pKa | -1 » -2 |
| 7.42 | QSARToolbox | -1 » -2 |
| 7.42 | QSARToolbox | -1 » -2 |
| 7.77 | IUPAC digitized pKa | -1 » -2 |