Molecule ID: mol8488
SMILES: Cc1cc(S(=O)(=O)O)ccc1N
InChI: InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.88 | IUPAC digitized pKa | 0 » -1 |
| 2.93 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 3.02 | IUPAC digitized pKa | 0 » -1 |
| 3.07 | IUPAC digitized pKa | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.12 | OCHEM | 0 » -1 |
| 3.13 | IUPAC digitized pKa | 0 » -1 |
| 3.19 | IUPAC digitized pKa | 0 » -1 |
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.31 | IUPAC digitized pKa | 0 » -1 |
| 3.37 | IUPAC digitized pKa | 0 » -1 |
| 3.44 | IUPAC digitized pKa | 0 » -1 |