Molecule ID: mol12456

SMILES: CCNN(CC)CC

InChI: InChI=1S/C6H16N2/c1-4-7-8(5-2)6-3/h7H,4-6H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization