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(1Z)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide

Formula:C21H11N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (1Z)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide is not a drug-like molecule.
MolName(1Z)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide
MolecularFormulaC21H11N3OF6S
SmilesN#C/C(/C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)=O)=N/Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H11F6N3OS/c22-20(23,24)13-6-8-14(9-7-13)29-30-16(11-28)18(31)17-10-15(12-4-2-1-3-5-12)19(32-17)21(25,26)27/h1-10,29H
InChIKPIWQPMNPDOEGQB-UHFFFAOYSA-N
TotalMolweight467.392
Molweight467.392
MonoisotopicMass467.0527
CLogP6.7304
CLogS-7.341
H Acceptors4
H Donors1
TotalSurfaceArea321.53
Relative PSA0.21749
PolarSurfaceArea93.49
Druglikeness-7.5114
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms8
StereoCon

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