Molecule ID: mol12359

SMILES: N[C@H]1CCCC[C@@H]1N

InChI: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.71 Datawarrior 2 » 1
9.70 QSARToolbox 2 » 1
9.75 Datawarrior 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization