Molecule ID: mol13629

SMILES: CC(C)N1CCCCC1

InChI: InChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization