Molecule ID: mol14441
SMILES: CCCN(CCC)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H18N2O2/c1-3-9-13(10-4-2)11-5-7-12(8-6-11)14(15)16/h5-8H,3-4,9-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.06 | OCHEM | 1 » 0 |
| 1.06 | QSARToolbox | 1 » 0 |
| 1.06 | Datawarrior | 1 » 0 |