Molecule ID: mol28531
SMILES: CCNC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H11N3O5S/c1-2-10-9(13)11-18(16,17)8-5-3-7(4-6-8)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | AttenGpKa training set | 0 » -1 |