Molecule ID: mol5198

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

InChI: InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.83 IUPAC digitized pKa 1 » 0
10.87 QSARToolbox 1 » 0
10.87 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization