(E)-3-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)prop-2-en-1-one

Formula:C13H8OBrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C13H8OBrClS
Smiles	O=C(/C=C/c1cc(Br)cs1)c(cc1)ccc1Cl
InChI	InChI=1S/C13H8BrClOS/c14-10-7-12(17-8-10)5-6-13(16)9-1-3-11(15)4-2-9/h1-8H
InChIK	PSSJEANURYCSPI-UHFFFAOYSA-N
TotalMolweight	327.629
Molweight	327.629
MonoisotopicMass	325.916773
CLogP	4.5016
CLogS	-5.42
H Acceptors	1
TotalSurfaceArea	207.26
Relative PSA	0.16115
PolarSurfaceArea	45.31
Druglikeness	-3.4959
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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