Molecule ID: mol26148
SMILES: Cc1ccc2c(S(=O)(=O)N(C)C)ccc(O)c2n1
InChI: InChI=1S/C12H14N2O3S/c1-8-4-5-9-11(18(16,17)14(2)3)7-6-10(15)12(9)13-8/h4-7,15H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | AttenGpKa training set | 1 » 0 |
| 7.79 | AttenGpKa training set | 0 » -1 |