Molecule ID: mol15980

SMILES: NCCOCCO

InChI: InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.51 QSARToolbox 1 » 0
8.55 QSARToolbox 1 » 0
8.59 QSARToolbox 1 » 0
8.60 QSARToolbox 1 » 0
9.42 AttenGpKa training set 1 » 0
9.43 Datawarrior 1 » 0
9.43 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization