Molecule ID: mol15434
SMILES: O=[N+]([O-])c1cc(CN2CCCCC2)c(O)c2ccccc12
InChI: InChI=1S/C16H18N2O3/c19-16-12(11-17-8-4-1-5-9-17)10-15(18(20)21)13-6-2-3-7-14(13)16/h2-3,6-7,10,19H,1,4-5,8-9,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 1 » 0 |
| 10.73 | Datawarrior | 0 » -1 |
| 10.73 | OCHEM | 0 » -1 |