Molecule ID: mol8487
SMILES: Cc1ccc(S(=O)(=O)O)cc1N
InChI: InChI=1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | IUPAC digitized pKa | 0 » -1 |
| 3.40 | IUPAC digitized pKa | 0 » -1 |
| 3.46 | IUPAC digitized pKa | 0 » -1 |
| 3.51 | IUPAC digitized pKa | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.76 | IUPAC digitized pKa | 0 » -1 |
| 3.83 | IUPAC digitized pKa | 0 » -1 |
| 3.90 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |