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(2E)-4,4,4-trifluoro-1-thiophen-2-yl-2-[[3-[(E)-4,4,4-trifluoro-3-oxo-2-(thiophene-2-carbonyl)but-1-enyl]phenyl]methylidene]butane-1,3-dione

Formula:C24H12O4F6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-4,4,4-trifluoro-1-thiophen-2-yl-2-[[3-[(E)-4,4,4-trifluoro-3-oxo-2-(thiophene-2-carbonyl)but-1-enyl]phenyl]methylidene]butane-1,3-dione is not a drug-like molecule.
MolName(2E)-4,4,4-trifluoro-1-thiophen-2-yl-2-[[3-[(E)-4,4,4-trifluoro-3-oxo-2-(thiophene-2-carbonyl)but-1-enyl]phenyl]methylidene]butane-1,3-dione
MolecularFormulaC24H12O4F6S2
SmilesO=C(C(F)(F)F)/C(/C(c1cccs1)=O)=C\c1cccc(/C=C(\C(C(F)(F)F)=O)/C(c2cccs2)=O)c1
InChIInChI=1S/C24H12F6O4S2/c25-23(26,27)21(33)15(19(31)17-6-2-8-35-17)11-13-4-1-5-14(10-13)12-16(22(34)24(28,29)30)20(32)18-7-3-9-36-18/h1-12H
InChIKCUAWVFRONUTUAE-UHFFFAOYSA-N
TotalMolweight542.475
Molweight542.475
MonoisotopicMass542.008118
CLogP5.6654
CLogS-7.656
H Acceptors4
TotalSurfaceArea364
Relative PSA0.25516
PolarSurfaceArea124.76
Druglikeness-30.52
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.41667
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Symmetricatoms19
StereoCon

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