Molecule ID: mol1747

SMILES: C1CCCNCCC1

InChI: InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.78 QSARToolbox 1 » 0
10.78 Datawarrior 1 » 0
10.78 OCHEM 1 » 0
11.10 OCHEM 1 » 0
11.10 Hunt 1 » 0
11.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization