Molecule ID: mol1900
SMILES: Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChI: InChI=1S/C12H10ClNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.27 | QSARToolbox | 1 » 0 |
| 1.27 | IUPAC digitized pKa | 1 » 0 |
| 1.33 | IUPAC digitized pKa | 1 » 0 |
| 1.38 | IUPAC digitized pKa | 1 » 0 |
| 1.38 | Hunt | 1 » 0 |
| 1.38 | AttenGpKa training set | 1 » 0 |
| 1.46 | IUPAC digitized pKa | 1 » 0 |
| 1.51 | IUPAC digitized pKa | 1 » 0 |