[3H]acetylcholine

Ligand id: 8593

Name: [3H]acetylcholine    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 26.3
Molecular weight 146.12
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-acetyloxyethyl-trimethylazanium
Database Links
PubChem CID 187
RCSB PDB Ligand ACH
Search Google for chemical match using the InChIKey OIPILFWXSMYKGL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OIPILFWXSMYKGL
Search UniChem for chemical match using the InChIKey OIPILFWXSMYKGL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OIPILFWXSMYKGL
Comments
The position of the tritiated hydrogen atom is not specified in the available literature therefore is not shown in the structure here.