Molecule ID: mol34428

SMILES: CCP(=O)(CC)CCP(=O)(O)c1ccccc1

InChI: InChI=1S/C12H20O3P2/c1-3-16(13,4-2)10-11-17(14,15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.38 QSARToolbox 0 » -1
2.38 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization