Molecule ID: mol33280
SMILES: Cc1cc(C)c2ccc(S(=O)(=O)O)c(O)c2n1
InChI: InChI=1S/C11H11NO4S/c1-6-5-7(2)12-10-8(6)3-4-9(11(10)13)17(14,15)16/h3-5,13H,1-2H3,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 0 » -1 |
| 10.14 | OCHEM | -1 » -2 |