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2-[(E)-4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbut-2-enyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Formula:C30H18N4F6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbut-2-enyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is not a drug-like molecule.
MolName2-[(E)-4-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbut-2-enyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
MolecularFormulaC30H18N4F6S2
SmilesN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC/C=C/CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C30H18F6N4S2/c31-29(32,33)23-15-25(19-9-3-1-4-10-19)39-27(21(23)17-37)41-13-7-8-14-42-28-22(18-38)24(30(34,35)36)16-26(40-28)20-11-5-2-6-12-20/h1-12,15-16H,13-14H2
InChIKQELGAQQIWRNDFN-UHFFFAOYSA-N
TotalMolweight612.621
Molweight612.621
MonoisotopicMass612.087704
CLogP8.0082
CLogS-9.314
H Acceptors4
TotalSurfaceArea441.4
Relative PSA0.19039
PolarSurfaceArea123.96
Druglikeness-12.067
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47619
Fragments1
Non HAtoms42
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms25
Aromatic Nitrogens2
StereoCon

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