Molecule ID: mol28646
SMILES: CCCCNC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C11H15N3O5S/c1-2-3-7-12-11(15)13-20(18,19)10-6-4-5-9(8-10)14(16)17/h4-6,8H,2-3,7H2,1H3,(H2,12,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | AttenGpKa training set | 0 » -1 |