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(2Z)-4,4,4-trifluoro-1-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]butane-1,3-dione

Formula:C22H12O3F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z)-4,4,4-trifluoro-1-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]butane-1,3-dione is not a drug-like molecule.
MolName(2Z)-4,4,4-trifluoro-1-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]butane-1,3-dione
MolecularFormulaC22H12O3F6
SmilesO=C(C(F)(F)F)/C(/C(c1ccccc1)=O)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C22H12F6O3/c23-21(24,25)15-8-4-7-14(11-15)18-10-9-16(31-18)12-17(20(30)22(26,27)28)19(29)13-5-2-1-3-6-13/h1-12H
InChIKPALALLIHUDRAIR-UHFFFAOYSA-N
TotalMolweight438.322
Molweight438.322
MonoisotopicMass438.069063
CLogP5.5831
CLogS-6.864
H Acceptors3
TotalSurfaceArea301.6
Relative PSA0.13326
PolarSurfaceArea47.28
Druglikeness-31.389
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.48387
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms6
StereoCon

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