Molecule ID: mol12505

SMILES: CC[N+](O)(CC)CC

InChI: InChI=1S/C6H16NO/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.08 AttenGpKa training set 1 » 0
5.13 Datawarrior 1 » 0
5.13 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization