Molecule ID: mol12376

SMILES: C[C@@H]1CNC[C@H](C)N1

InChI: InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/t5-,6+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.14 QSARToolbox 2 » 1
5.40 Datawarrior 2 » 1
9.86 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization