Molecule ID: mol13122

SMILES: C=C(C)C(=O)OCCNC

InChI: InChI=1S/C7H13NO2/c1-6(2)7(9)10-5-4-8-3/h8H,1,4-5H2,2-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization