Molecule ID: mol1764

SMILES: C1CCC(NC2CCCCC2)CC1

InChI: InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.39 QSARToolbox 1 » 0
10.40 Organic Oxygen Acids and Nitrogen Bases 1 » 0
10.40 OCHEM 1 » 0
10.40 OCHEM 1 » 0
11.03 AttenGpKa training set 1 » 0
11.25 IUPAC digitized pKa 1 » 0
11.25 OCHEM 1 » 0
11.25 OCHEM 1 » 0
11.25 Hunt 1 » 0
11.25 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization