Molecule ID: mol24478

SMILES: CCCNCc1cccc(CNCCC)n1

InChI: InChI=1S/C13H23N3/c1-3-8-14-10-12-6-5-7-13(16-12)11-15-9-4-2/h5-7,14-15H,3-4,8-11H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.85 AttenGpKa training set 2 » 1
9.36 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization