Molecule ID: mol13696

SMILES: C=C(C)C(=O)OCCNCC(C)C

InChI: InChI=1S/C10H19NO2/c1-8(2)7-11-5-6-13-10(12)9(3)4/h8,11H,3,5-7H2,1-2,4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization