Molecule ID: mol26114
SMILES: O=S(=O)(O)c1ccc(O)c2ncccc12
InChI: InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.02 | AttenGpKa training set | 1 » 0 |
| 1.30 | QSARToolbox | 1 » 0 |
| 1.30 | QSARToolbox | 1 » 0 |
| 2.04 | QSARToolbox | 0 » -1 |
| 2.04 | QSARToolbox | 0 » -1 |
| 2.04 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 4.01 | QSARToolbox | 0 » -1 |
| 4.01 | QSARToolbox | 0 » -1 |
| 4.03 | QSARToolbox | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.12 | AttenGpKa training set | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 8.23 | QSARToolbox | -1 » -2 |
| 8.25 | QSARToolbox | -1 » -2 |
| 8.35 | QSARToolbox | -1 » -2 |
| 8.48 | QSARToolbox | -1 » -2 |
| 8.48 | QSARToolbox | -1 » -2 |
| 8.48 | QSARToolbox | -1 » -2 |
| 8.49 | QSARToolbox | -1 » -2 |
| 8.49 | QSARToolbox | -1 » -2 |
| 8.53 | QSARToolbox | -1 » -2 |
| 8.53 | QSARToolbox | -1 » -2 |
| 8.53 | QSARToolbox | -1 » -2 |
| 8.64 | QSARToolbox | -1 » -2 |
| 8.67 | AttenGpKa training set | -1 » -2 |
| 8.74 | QSARToolbox | -1 » -2 |
| 8.74 | QSARToolbox | -1 » -2 |
| 8.75 | QSARToolbox | -1 » -2 |
| 8.75 | QSARToolbox | -1 » -2 |
| 8.78 | QSARToolbox | -1 » -2 |
| 8.78 | OCHEM | -1 » -2 |