Molecule ID: mol29785
SMILES: Cc1ccc2nc3sc(S(C)(=O)=O)cc3c(O)c2c1
InChI: InChI=1S/C13H11NO3S2/c1-7-3-4-10-8(5-7)12(15)9-6-11(19(2,16)17)18-13(9)14-10/h3-6H,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | AttenGpKa training set | 1 » 0 |
| 8.10 | AttenGpKa training set | 0 » -1 |