Molecule ID: mol37571

SMILES: O=S(=O)(O)c1ccc(O)c(CNCCN(CCNCc2cc(S(=O)(=O)O)ccc2O)CCNCc2cc(S(=O)(=O)O)ccc2O)c1

InChI: InChI=1S/C27H36N4O12S3/c32-25-4-1-22(44(35,36)37)13-19(25)16-28-7-10-31(11-8-29-17-20-14-23(45(38,39)40)2-5-26(20)33)12-9-30-18-21-15-24(46(41,42)43)3-6-27(21)34/h1-6,13-15,28-30,32-34H,7-12,16-18H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.07 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization