Molecule ID: mol24477

SMILES: CCNCc1cccc(CNCC)n1

InChI: InChI=1S/C11H19N3/c1-3-12-8-10-6-5-7-11(14-10)9-13-4-2/h5-7,12-13H,3-4,8-9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization