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)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.56 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization