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(1Z)-N-(3-chloroanilino)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimidoyl cyanide

Formula:C20H11N3OClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (1Z)-N-(3-chloroanilino)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimidoyl cyanide is not a drug-like molecule.
MolName(1Z)-N-(3-chloroanilino)-2-oxo-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethanimidoyl cyanide
MolecularFormulaC20H11N3OClF3S
SmilesN#C/C(/C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)=O)=N/Nc1cccc(Cl)c1
InChIInChI=1S/C20H11ClF3N3OS/c21-13-7-4-8-14(9-13)26-27-16(11-25)18(28)17-10-15(12-5-2-1-3-6-12)19(29-17)20(22,23)24/h1-10,26H
InChIKXYOTZTRCAUYUBJ-UHFFFAOYSA-N
TotalMolweight433.84
Molweight433.84
MonoisotopicMass433.026343
CLogP6.4881
CLogS-7.299
H Acceptors4
H Donors1
TotalSurfaceArea307.49
Relative PSA0.22742
PolarSurfaceArea93.49
Druglikeness-7.4667
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51724
Fragments1
Non HAtoms29
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Symmetricatoms4
StereoCon

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