Ligand id: 4493

Name: [3H]hemicholinium-3    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 58.92
Molecular weight 572.09
XLogP 4.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Synthetic organic
2-hydroxy-2-{4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl}-4,4-dimethylmorpholin-4-ium dibromide
Database Links
ChEMBL Ligand CHEMBL197027
PubChem CID 9399
Search Google for chemical match using the InChIKey OPYKHUMNFAMIBL-UHFFFAOYSA-L
Search Google for chemicals with the same backbone OPYKHUMNFAMIBL
Wikipedia Hemicholinium-3