Molecule ID: mol18906
SMILES: O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1
InChI: InChI=1S/C21H19F6N5O2/c22-20(23,24)17-6-2-15(3-7-17)12-30(10-1-11-31-14-28-19(29-31)32(33)34)13-16-4-8-18(9-5-16)21(25,26)27/h2-9,14H,1,10-13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.79 | Baltruschat ChEMBL | 1 » 0 |