Molecule ID: mol37156

SMILES: O=P(O)(O)CN1CCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCCN(CP(=O)(O)O)CC1

InChI: InChI=1S/C14H36N4O12P4/c19-31(20,21)11-15-3-1-4-16(12-32(22,23)24)8-10-18(14-34(28,29)30)6-2-5-17(9-7-15)13-33(25,26)27/h1-14H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.96 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization