Molecule ID: mol5189

SMILES: C[C@H]1CCN2CCC[C@@H]12

InChI: InChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3/t7-,8-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.40 IUPAC digitized pKa 1 » 0
11.40 OCHEM 1 » 0
11.40 OCHEM 1 » 0
11.40 OCHEM 1 » 0
11.44 QSARToolbox 1 » 0
11.44 Datawarrior 1 » 0
11.48 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization