Molecule ID: mol18324
SMILES: c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCCN1
InChI: InChI=1S/C30H28N6/c1-11-31-29(32-12-1)23-9-7-21-15-25(35-27(21)17-23)19-3-5-20(6-4-19)26-16-22-8-10-24(18-28(22)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.80 | Baltruschat ChEMBL | 1 » 0 |