Molecule ID: mol38472

SMILES: CCNCCOP(=O)(O)Oc1ccc(C#N)cc1

InChI: InChI=1S/C11H15N2O4P/c1-2-13-7-8-16-18(14,15)17-11-5-3-10(9-12)4-6-11/h3-6,13H,2,7-8H2,1H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization