Molecule ID: mol14071

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

InChI: InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.65 QSARToolbox 1 » 0
7.67 QSARToolbox 1 » 0
7.80 QSARToolbox 1 » 0
8.06 Datawarrior 1 » 0
8.06 OCHEM 1 » 0
8.33 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization