Molecule ID: mol15151
SMILES: O=[N+]([O-])c1ccc(O)c(CN2CCOCC2)c1
InChI: InChI=1S/C11H14N2O4/c14-11-2-1-10(13(15)16)7-9(11)8-12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.53 | QSARToolbox | 1 » 0 |
| 5.53 | QSARToolbox | 1 » 0 |
| 5.61 | Datawarrior | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 7.92 | Datawarrior | 0 » -1 |
| 7.92 | OCHEM | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |