Molecule ID: mol15126

SMILES: C=CCC(C)(CN(CC)CC)OC(=O)CCC

InChI: InChI=1S/C14H27NO2/c1-6-10-13(16)17-14(5,11-7-2)12-15(8-3)9-4/h7H,2,6,8-12H2,1,3-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization