Molecule ID: mol12887

SMILES: C=CC(=O)OCCN(CC)CC

InChI: InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.55 Datawarrior 1 » 0
8.55 OCHEM 1 » 0
8.56 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization