Molecule ID: mol13897

SMILES: CC(=O)C(CN1CCOCC1)=NO

InChI: InChI=1S/C8H14N2O3/c1-7(11)8(9-12)6-10-2-4-13-5-3-10/h12H,2-6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization