Molecule ID: mol37163

SMILES: O=P(O)(O)CN1CCOCCOCCN(CP(=O)(O)O)CCOCC1

InChI: InChI=1S/C12H28N2O9P2/c15-24(16,17)11-13-1-5-21-6-2-14(12-25(18,19)20)4-8-23-10-9-22-7-3-13/h1-12H2,(H2,15,16,17)(H2,18,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.87 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization