Molecule ID: mol13505

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

InChI: InChI=1S/C6H11NO2/c1-5(2)6(8)9-4-3-7/h1,3-4,7H2,2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization