Molecule ID: mol11705

SMILES: O=C(O)C1CCNC1

InChI: InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization