[3H]acetylcholine   Click here for help

GtoPdb Ligand ID: 8593

PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: The position of the tritiated hydrogen atom is not specified in the available literature therefore is not shown in the structure here.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)OCC[N+](C)(C)C
Isomeric SMILES CC(=O)OCC[N+](C)(C)C
InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChI Key OIPILFWXSMYKGL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-acetyloxyethyl-trimethylazanium
Database Links Click here for help
DrugCentral Ligand 65
GtoPdb PubChem SID 252166794
PubChem CID 187
RCSB PDB Ligand ACH
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