Molecule ID: mol24525

SMILES: CCN1[C@H](C)CCC[C@@H]1C

InChI: InChI=1S/C9H19N/c1-4-10-8(2)6-5-7-9(10)3/h8-9H,4-7H2,1-3H3/t8-,9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization