Molecule ID: mol13698

SMILES: C=CCN(C)CCOC(=O)C(=C)C

InChI: InChI=1S/C10H17NO2/c1-5-6-11(4)7-8-13-10(12)9(2)3/h5H,1-2,6-8H2,3-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization