Molecule ID: mol15624
SMILES: CCN1CCCC1CNC(=O)c1c(OC)ccc([N+](=O)[O-])c1O
InChI: InChI=1S/C15H21N3O5/c1-3-17-8-4-5-10(17)9-16-15(20)13-12(23-2)7-6-11(14(13)19)18(21)22/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,16,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Datawarrior | 1 » 0 |
| 5.75 | OCHEM | 1 » 0 |
| 9.12 | OCHEM | 0 » -1 |
| 9.12 | Datawarrior | 0 » -1 |