Molecule ID: mol15018
SMILES: O=[N+]([O-])c1ccc(O)c(CN2CCOCCOCCOCCOCC2)c1
InChI: InChI=1S/C17H26N2O7/c20-17-2-1-16(19(21)22)13-15(17)14-18-3-5-23-7-9-25-11-12-26-10-8-24-6-4-18/h1-2,13,20H,3-12,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.79 | QSARToolbox | 1 » 0 |
| 5.79 | Datawarrior | 1 » 0 |
| 5.79 | OCHEM | 1 » 0 |
| 9.69 | OCHEM | 0 » -1 |
| 9.69 | Datawarrior | 0 » -1 |