Molecule ID: mol187

SMILES: CCN(C)CC

InChI: InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.32 AttenGpKa training set 1 » 0
10.39 Datawarrior 1 » 0
10.39 OCHEM 1 » 0
10.43 OCHEM 1 » 0
10.43 OCHEM 1 » 0
10.46 IUPAC digitized pKa 1 » 0
10.46 OCHEM 1 » 0
10.46 OCHEM 1 » 0
10.50 OCHEM 1 » 0
10.50 OCHEM 1 » 0
10.50 Hunt 1 » 0
10.50 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization