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

Formula:C14H6NOCl5S Mutagenic:high Tumorigenic:none Reproductive Effective:low (E)-1-(4-chlorophenyl)-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-(2,3,5,6-tetrachloropyridin-4-yl)sulfanylprop-2-en-1-one
MolecularFormula	C14H6NOCl5S
Smiles	O=C(/C=C/Sc(c(Cl)c(nc1Cl)Cl)c1Cl)c(cc1)ccc1Cl
InChI	InChI=1S/C14H6Cl5NOS/c15-8-3-1-7(2-4-8)9(21)5-6-22-12-10(16)13(18)20-14(19)11(12)17/h1-6H
InChIK	KVQXSYNQTRCZHV-UHFFFAOYSA-N
TotalMolweight	413.539
Molweight	413.539
MonoisotopicMass	410.861269
CLogP	5.5742
CLogS	-6.639
H Acceptors	2
TotalSurfaceArea	270.62
Relative PSA	0.15335
PolarSurfaceArea	55.26
Druglikeness	0.5825
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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