Molecule ID: mol30755
SMILES: Nc1cccc2c(O)c(S(=O)(=O)O)ccc12
InChI: InChI=1S/C10H9NO4S/c11-8-3-1-2-7-6(8)4-5-9(10(7)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.87 | AttenGpKa training set | 0 » -1 |
| 9.00 | AttenGpKa training set | -1 » -2 |