Molecule ID: mol5316
SMILES: Nc1cccc(S(=O)(=O)O)c1
InChI: InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.51 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.61 | IUPAC digitized pKa | 0 » -1 |
| 3.62 | QSARToolbox | 0 » -1 |
| 3.62 | IUPAC digitized pKa | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.65 | QSARToolbox | 0 » -1 |
| 3.68 | IUPAC digitized pKa | 0 » -1 |
| 3.69 | IUPAC digitized pKa | 0 » -1 |
| 3.71 | QSARToolbox | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.74 | OCHEM | 0 » -1 |
| 3.74 | OCHEM | 0 » -1 |
| 3.74 | AttenGpKa training set | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | OCHEM | 0 » -1 |
| 3.75 | IUPAC digitized pKa | 0 » -1 |
| 3.75 | QSARToolbox | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |