Molecule ID: mol12096

SMILES: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC

InChI: InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.35 AttenGpKa training set 0 » -1
2.85 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization