Molecule ID: mol1638
SMILES: C[C@H]1C[C@H](O[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1
InChI: InChI=1S/C10H18N2O3/c1-7-6-10(15-12(13)14)8-4-2-3-5-9(8)11-7/h7-11H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | Hunt | 1 » 0 |