Molecule ID: mol1671
SMILES: CCN(CC)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | Datawarrior | 1 » 0 |
| 1.70 | OCHEM | 1 » 0 |
| 1.70 | QSARToolbox | 1 » 0 |
| 1.75 | IUPAC digitized pKa | 1 » 0 |
| 1.75 | OCHEM | 1 » 0 |
| 1.75 | Hunt | 1 » 0 |