Molecule ID: mol36750

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

InChI: InChI=1S/C6H14N2O13P2/c9-6(22(14,15)16,23(17,18)19)3-1-2-5(21-8(12)13)4-20-7(10)11/h5,9H,1-4H2,(H2,14,15,16)(H2,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization