Molecule ID: mol36286
SMILES: O=C1NCCNCCCNCCNC(=O)C1(F)F
InChI: InChI=1S/C10H18F2N4O2/c11-10(12)8(17)15-6-4-13-2-1-3-14-5-7-16-9(10)18/h13-14H,1-7H2,(H,15,17)(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | QSARToolbox | 2 » 1 |
| 9.22 | QSARToolbox | 1 » 0 |