Molecule ID: mol15744
SMILES: O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChI: InChI=1S/C10H16N2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11H,1-6H2,(H,14,15)/t7-,8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | Datawarrior | 1 » 0 |
| 3.16 | QSARToolbox | 1 » 0 |
| 9.27 | Datawarrior | 0 » -1 |