arachidonyl trifluoromethyl ketone   Click here for help

GtoPdb Ligand ID: 5142

Abbreviated name: ATFMK
Synonyms: arachidonoyltrifluoromethylketone | arachidonyltrifluoromethyl ketone
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 15
Topological polar surface area 17.07
Molecular weight 356.23
XLogP 9.31
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F
InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChI Key PLWROONZUDKYKG-DOFZRALJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
Synonyms Click here for help
arachidonoyltrifluoromethylketone | arachidonyltrifluoromethyl ketone
Database Links Click here for help
CAS Registry No. 149301-79-1
ChEMBL Ligand CHEMBL281211
GtoPdb PubChem SID 178101834
PubChem CID 5280436
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