Molecule ID: mol38393

SMILES: COCCNCCOP(=O)(O)Oc1ccc([N+](=O)[O-])cc1Cl

InChI: InChI=1S/C11H16ClN2O7P/c1-19-6-4-13-5-7-20-22(17,18)21-11-3-2-9(14(15)16)8-10(11)12/h2-3,8,13H,4-7H2,1H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization