Molecule ID: mol14000

SMILES: NC(=O)C1=CN2CCC1CC2

InChI: InChI=1S/C8H12N2O/c9-8(11)7-5-10-3-1-6(7)2-4-10/h5-6H,1-4H2,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization