Molecule ID: mol6415
SMILES: CC(C)(C)c1ccc(S(=O)(=O)O)c(C(C)(C)C)n1
InChI: InChI=1S/C13H21NO3S/c1-12(2,3)10-8-7-9(18(15,16)17)11(14-10)13(4,5)6/h7-8H,1-6H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |