Molecule ID: mol14659
SMILES: NCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)O
InChI: InChI=1S/C11H18N4O5/c12-4-8(16)13-5-9(17)14-6-10(18)15-3-1-2-7(15)11(19)20/h7H,1-6,12H2,(H,13,16)(H,14,17)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | Datawarrior | 1 » 0 |
| 2.91 | QSARToolbox | 1 » 0 |
| 2.91 | OCHEM | 1 » 0 |
| 8.04 | Datawarrior | 0 » -1 |
| 8.04 | OCHEM | 0 » -1 |