Molecule ID: mol18958

SMILES: Cn1cc[n+](COC2CCCCCC2)c1/C=N/O

InChI: InChI=1S/C13H21N3O2/c1-15-8-9-16(13(15)10-14-17)11-18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.03 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization