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GtoPdb Ligand ID: 4331

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 17.3
Molecular weight 212.06
XLogP 2.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FC(c1ccccc1n1cncc1)(F)F
Isomeric SMILES FC(c1ccccc1n1cncc1)(F)F
InChI InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
InChI Key WZBWBNCQUTXYEL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2-(trifluoromethyl)phenyl]-1H-imidazole
Database Links Click here for help
CAS Registry No. 25371-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL277525
GtoPdb PubChem SID 178101148
PubChem CID 1359
Search Google for chemical match using the InChIKey WZBWBNCQUTXYEL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WZBWBNCQUTXYEL
UniChem Compound Search for chemical match using the InChIKey WZBWBNCQUTXYEL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WZBWBNCQUTXYEL-UHFFFAOYSA-N

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Cat. No. 0919