Molecule ID: mol13790

SMILES: CCOC(=O)C1CN2CCC1CC2

InChI: InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-11-5-3-8(9)4-6-11/h8-9H,2-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization