Molecule ID: mol21496

SMILES: Cn1cc[n+](COCCCCc2ccccc2)c1/C=N/O

InChI: InChI=1S/C16H21N3O2/c1-18-10-11-19(16(18)13-17-20)14-21-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization