Molecule ID: mol24582

SMILES: CCCCN1[C@H](C)CCC[C@@H]1C

InChI: InChI=1S/C11H23N/c1-4-5-9-12-10(2)7-6-8-11(12)3/h10-11H,4-9H2,1-3H3/t10-,11+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.82 QSARToolbox 1 » 0
11.02 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization