Molecule ID: mol36165
SMILES: O=C(O)CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC(=O)O)C2=O)Sc2ccccc21
InChI: InChI=1S/C24H16N2O6S2/c27-21(28)11-25-15-5-1-3-7-17(15)33-19(25)9-13-23(31)14(24(13)32)10-20-26(12-22(29)30)16-6-2-4-8-18(16)34-20/h1-10H,11-12H2,(H2-,27,28,29,30,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | QSARToolbox | -1 » -2 |