Molecule ID: mol18904
SMILES: O=[N+]([O-])c1ncn(CCCN(Cc2ccc3cc(Br)ccc3n2)Cc2ccc3cc(Br)ccc3n2)n1
InChI: InChI=1S/C25H21Br2N7O2/c26-19-4-8-23-17(12-19)2-6-21(29-23)14-32(10-1-11-33-16-28-25(31-33)34(35)36)15-22-7-3-18-13-20(27)5-9-24(18)30-22/h2-9,12-13,16H,1,10-11,14-15H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | Baltruschat ChEMBL | 1 » 0 |