(E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-N-phenylprop-2-enamide

Formula:C21H14N3O3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-N-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-N-phenylprop-2-enamide
MolecularFormula	C21H14N3O3F3S
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Nc2ccccc2)=O)c1Sc1ncc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C21H14F3N3O3S/c22-21(23,24)15-7-11-20(25-13-15)31-18-9-8-17(27(29)30)12-14(18)6-10-19(28)26-16-4-2-1-3-5-16/h1-13H,(H,26,28)
InChIK	AYCYZKOXSNRICR-UHFFFAOYSA-N
TotalMolweight	445.42
Molweight	445.42
MonoisotopicMass	445.070796
CLogP	3.9806
CLogS	-5.49
H Acceptors	6
H Donors	1
TotalSurfaceArea	317.87
Relative PSA	0.26231
PolarSurfaceArea	113.11
Druglikeness	-12.295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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