Molecule ID: mol36382
SMILES: O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)O)cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)O)cc1
InChI: InChI=1S/C36H24N2O6S2/c39-33-25(17-31-37(27-5-1-3-7-29(27)45-31)19-21-9-13-23(14-10-21)35(41)42)34(40)26(33)18-32-38(28-6-2-4-8-30(28)46-32)20-22-11-15-24(16-12-22)36(43)44/h1-18H,19-20H2,(H2-,39,40,41,42,43,44)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | QSARToolbox | -1 » -2 |