(E)-1-(5-chlorothiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one

Formula:C13H7OCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-chlorothiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(5-chlorothiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C13H7OCl3S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(s1)ccc1Cl
InChI	InChI=1S/C13H7Cl3OS/c14-9-3-1-8(10(15)7-9)2-4-11(17)12-5-6-13(16)18-12/h1-7H
InChIK	WYVQUKVPUQGBIB-UHFFFAOYSA-N
TotalMolweight	317.623
Molweight	317.623
MonoisotopicMass	315.928316
CLogP	5.1931
CLogS	-6.075
H Acceptors	1
TotalSurfaceArea	219.47
Relative PSA	0.15218
PolarSurfaceArea	45.31
Druglikeness	2.3505
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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