Molecule ID: mol15250
SMILES: CCC(C)(O)c1cnc(CC(C)C)c(O)[n+]1[O-]
InChI: InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,15-16H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.02 | Datawarrior | 0 » -1 |
| 5.02 | OCHEM | 0 » -1 |