hemicholinium-3

Ligand id: 4494

Name: hemicholinium-3

Abbreviated name: HC-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 414.25
XLogP 2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol
Database Links
CAS Registry No. 16478-59-4 (source: Scifinder)
ChEMBL Ligand CHEMBL268697
PubChem CID 3585
Search Google for chemical match using the InChIKey JIWUESGGKYLPPG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JIWUESGGKYLPPG
Search UniChem for chemical match using the InChIKey JIWUESGGKYLPPG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JIWUESGGKYLPPG
Wikipedia Hemicholinium-3