Molecule ID: mol35278
SMILES: N#CC(CC(=O)NN)(CC(=O)NN)C(C#N)(CC(=O)NN)CC(=O)NN
InChI: InChI=1S/C12H20N10O4/c13-5-11(1-7(23)19-15,2-8(24)20-16)12(6-14,3-9(25)21-17)4-10(26)22-18/h1-4,15-18H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.79 | QSARToolbox | 2 » 1 |