Molecule ID: mol37152

SMILES: O=P(O)(O)CCN1CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CCN(CCP(=O)(O)O)CC1

InChI: InChI=1S/C16H40N4O12P4/c21-33(22,23)13-9-17-1-2-18(10-14-34(24,25)26)5-6-20(12-16-36(30,31)32)8-7-19(4-3-17)11-15-35(27,28)29/h1-16H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.00 QSARToolbox 4 » 3
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Charge States and Microspecies Visualization