Molecule ID: mol3375
SMILES: Nc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.26 | QSARToolbox | 1 » 0 |
| 2.02 | IUPAC digitized pKa | 1 » 0 |
| 2.05 | QSARToolbox | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.10 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | OCHEM | 1 » 0 |
| 2.11 | Datawarrior | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.23 | AttenGpKa training set | 1 » 0 |
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.58 | QSARToolbox | 1 » 0 |
| 10.13 | QSARToolbox | 0 » -1 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.26 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | Baltruschat ChEMBL | 0 » -1 |
| 10.43 | QSARToolbox | 0 » -1 |
| 10.45 | QSARToolbox | 0 » -1 |
| 10.46 | AttenGpKa training set | 0 » -1 |
| 10.57 | QSARToolbox | 0 » -1 |
| 10.58 | QSARToolbox | 0 » -1 |
| 10.58 | IUPAC digitized pKa | 0 » -1 |
| 10.59 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.69 | QSARToolbox | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | IUPAC digitized pKa | 0 » -1 |
| 11.15 | QSARToolbox | 0 » -1 |
| 11.80 | QSARToolbox | 0 » -1 |