Molecule ID: mol16310
SMILES: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](CC)(CC)COP(=O)([O-])O)c(I)c1
InChI: InChI=1S/C26H32I2NO7P/c1-4-7-11-23-24(19-10-8-9-12-22(19)36-23)25(30)18-15-20(27)26(21(28)16-18)34-14-13-29(5-2,6-3)17-35-37(31,32)33/h8-10,12,15-16H,4-7,11,13-14,17H2,1-3H3,(H-,31,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.56 | Baltruschat ChEMBL | 0 » -1 |