Molecule ID: mol24386

SMILES: C=CCC(N)CC=C

InChI: InChI=1S/C7H13N/c1-3-5-7(8)6-4-2/h3-4,7H,1-2,5-6,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization