Molecule ID: mol18322
SMILES: c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCN1
InChI: InChI=1S/C28H24N6/c1-2-18(24-14-20-6-8-22(16-26(20)34-24)28-31-11-12-32-28)4-3-17(1)23-13-19-5-7-21(15-25(19)33-23)27-29-9-10-30-27/h1-8,13-16,33-34H,9-12H2,(H,29,30)(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Baltruschat ChEMBL | 2 » 1 |