Molecule ID: mol37072
SMILES: COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1N=NC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChI: InChI=1S/C40H31N10O6/c1-55-37-25-29(13-23-35(37)42-44-39(27-9-5-3-6-10-27)43-41-31-15-17-33(18-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-46-40(28-11-7-4-8-12-28)45-47(48)32-19-21-34(22-20-32)50(53)54/h3-26,41H,1-2H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | QSARToolbox | 1 » 0 |