Molecule ID: mol36116

SMILES: O=C(O)CCN=C1CCCN1

InChI: InChI=1S/C7H12N2O2/c10-7(11)3-5-9-6-2-1-4-8-6/h1-5H2,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization