(E)-1-(4-fluorophenyl)-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one

Formula:C14H6NOCl4FS Mutagenic:high Tumorigenic:none Reproductive Effective:low (E)-1-(4-fluorophenyl)-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-fluorophenyl)-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one
MolecularFormula	C14H6NOCl4FS
Smiles	O=C(/C=C/Sc(c(Cl)c(nc1Cl)Cl)c1Cl)c(cc1)ccc1F
InChI	InChI=1S/C14H6Cl4FNOS/c15-10-12(11(16)14(18)20-13(10)17)22-6-5-9(21)7-1-3-8(19)4-2-7/h1-6H
InChIK	KNMJBZZTSLGPNW-UHFFFAOYSA-N
TotalMolweight	397.084
Molweight	397.084
MonoisotopicMass	394.89082
CLogP	5.069
CLogS	-6.217
H Acceptors	2
TotalSurfaceArea	261.55
Relative PSA	0.15867
PolarSurfaceArea	55.26
Druglikeness	-0.7575
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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