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

Formula:C14H7NOCl4S Mutagenic:high Tumorigenic:none Reproductive Effective:low (E)-1-phenyl-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-phenyl-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one
MolecularFormula	C14H7NOCl4S
Smiles	O=C(/C=C/Sc(c(Cl)c(nc1Cl)Cl)c1Cl)c1ccccc1
InChI	InChI=1S/C14H7Cl4NOS/c15-10-12(11(16)14(18)19-13(10)17)21-7-6-9(20)8-4-2-1-3-5-8/h1-7H
InChIK	JKLAFAOODFCBPC-UHFFFAOYSA-N
TotalMolweight	379.094
Molweight	379.094
MonoisotopicMass	376.900242
CLogP	4.9682
CLogS	-5.903
H Acceptors	2
TotalSurfaceArea	255.2
Relative PSA	0.16262
PolarSurfaceArea	55.26
Druglikeness	0.5825
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polyhalo aromatic ring
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
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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