Molecule ID: mol12325
SMILES: Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(C)cc4S(=O)(=O)O)c(O)c3c2O)c(S(=O)(=O)O)c1
InChI: InChI=1S/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.50 | IUPAC digitized pKa | 0 » -1 |
| -0.50 | IUPAC digitized pKa | 0 » -1 |
| 0.60 | IUPAC digitized pKa | -1 » -2 |
| 0.80 | IUPAC digitized pKa | -1 » -2 |
| 2.50 | IUPAC digitized pKa | -3 » -4 |
| 2.90 | IUPAC digitized pKa | -3 » -4 |