Molecule ID: mol20929
SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChI: InChI=1S/C18H17N3O8S/c22-17(19-16-5-4-13(21(25)26)11-15(16)18(23)24)12-2-1-3-14(10-12)30(27,28)20-6-8-29-9-7-20/h1-5,10-11H,6-9H2,(H,19,22)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | OCHEM | 0 » -1 |
| 3.44 | Baltruschat ChEMBL | 0 » -1 |