Molecule ID: mol36993
SMILES: C1=Cc2nc1c(CCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCC[n+]1ccccc1)c1nc(c(CCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCC[n+]2ccccc2)C=C1
InChI: InChI=1S/C60H70N8/c1(13-37-65-41-17-5-18-42-65)9-25-49-53-29-31-55(61-53)50(26-10-2-14-38-66-43-19-6-20-44-66)57-33-35-59(63-57)52(28-12-4-16-40-68-47-23-8-24-48-68)60-36-34-58(64-60)51(56-32-30-54(49)62-56)27-11-3-15-39-67-45-21-7-22-46-67/h5-8,17-24,29-36,41-48,61,64H,1-4,9-16,25-28,37-40H2/q+4
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | QSARToolbox | 5 » 4 |