omega-chloroacetophenone   Click here for help

GtoPdb Ligand ID: 6285

Synonyms: chloromethyl phenyl ketone | mace (lacrimator) | phenacyl chloride | tear gas
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 17.07
Molecular weight 154.02
XLogP 2.14
No. Lipinski's rules broken 0
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Canonical SMILES ClCC(=O)c1ccccc1
Isomeric SMILES ClCC(=O)c1ccccc1
InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Hs Activator Activation 6.6 pEC50 - 1
pEC50 6.6 [1]
Description: Calcium imaging
Conditions: HEK293 cells expressing human TRPA1 loaded with Fluo-4.