Molecule ID: mol5317
SMILES: Nc1ccc(S(=O)(=O)O)cc1
InChI: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.84 | QSARToolbox | 0 » -1 |
| 2.93 | IUPAC digitized pKa | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 3.03 | IUPAC digitized pKa | 0 » -1 |
| 3.05 | QSARToolbox | 0 » -1 |
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.09 | IUPAC digitized pKa | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.13 | IUPAC digitized pKa | 0 » -1 |
| 3.17 | AttenGpKa training set | 0 » -1 |
| 3.18 | IUPAC digitized pKa | 0 » -1 |
| 3.18 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.21 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | IUPAC digitized pKa | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.25 | IUPAC digitized pKa | 0 » -1 |
| 3.28 | QSARToolbox | 0 » -1 |
| 3.28 | IUPAC digitized pKa | 0 » -1 |
| 3.29 | OCHEM | 0 » -1 |
| 3.34 | IUPAC digitized pKa | 0 » -1 |
| 3.34 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.52 | IUPAC digitized pKa | 0 » -1 |