Molecule ID: mol7437
SMILES: CCC1(CCN2CCOCC2)C(=O)N=C(O)N=C1O
InChI: InChI=1S/C12H19N3O4/c1-2-12(3-4-15-5-7-19-8-6-15)9(16)13-11(18)14-10(12)17/h2-8H2,1H3,(H2,13,14,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.04 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 0 » -1 |