Molecule ID: mol36751

SMILES: O=[N+]([O-])OCCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI: InChI=1S/C5H13NO10P2/c7-5(17(10,11)12,18(13,14)15)3-1-2-4-16-6(8)9/h7H,1-4H2,(H2,10,11,12)(H2,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.85 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization