Molecule ID: mol31831
SMILES: CCC[S@+]([O-])c1ccc2[nH]c(NC(=O)OC)nc2c1
InChI: InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | OCHEM | 1 » 0 |
| 3.28 | OCHEM | 1 » 0 |
| 9.93 | OCHEM | 0 » -1 |
| 9.93 | OCHEM | 0 » -1 |