Molecule ID: mol24560

SMILES: O=[N+]([O-])C12CCN(CC1)CC2

InChI: InChI=1S/C7H12N2O2/c10-9(11)7-1-4-8(5-2-7)6-3-7/h1-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization