(E)-N-(4-chlorophenyl)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enamide

Formula:C21H13N3O3ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(4-chlorophenyl)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(4-chlorophenyl)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enamide
MolecularFormula	C21H13N3O3ClF3S
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Nc(cc2)ccc2Cl)=O)c1Sc1ncc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C21H13ClF3N3O3S/c22-15-3-5-16(6-4-15)27-19(29)9-1-13-11-17(28(30)31)7-8-18(13)32-20-10-2-14(12-26-20)21(23,24)25/h1-12H,(H,27,29)
InChIK	ZSFLGLKPROSJOC-UHFFFAOYSA-N
TotalMolweight	479.865
Molweight	479.865
MonoisotopicMass	479.031823
CLogP	4.5866
CLogS	-6.226
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.29
Relative PSA	0.25017
PolarSurfaceArea	113.11
Druglikeness	-12.212
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
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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