Molecule ID: mol903

SMILES: C=CCN(C)CC=C

InChI: InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization