Molecule ID: mol12504

SMILES: CCCC(=N)OCC

InChI: InChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization