Molecule ID: mol18903
SMILES: O=[N+]([O-])c1ncn(CCCN(Cc2ccc3ccc(Cl)cc3n2)Cc2ccc3ccc(Cl)cc3n2)n1
InChI: InChI=1S/C25H21Cl2N7O2/c26-19-6-2-17-4-8-21(29-23(17)12-19)14-32(10-1-11-33-16-28-25(31-33)34(35)36)15-22-9-5-18-3-7-20(27)13-24(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 |