Molecule ID: mol15166
SMILES: O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1
InChI: InChI=1S/C12H16N2O3/c15-12-5-4-11(14(16)17)8-10(12)9-13-6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.88 | Datawarrior | 1 » 0 |
| 5.88 | OCHEM | 1 » 0 |
| 5.88 | QSARToolbox | 1 » 0 |
| 10.54 | Datawarrior | 0 » -1 |
| 10.54 | OCHEM | 0 » -1 |