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

Formula:C13H7OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromothiophen-2-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-bromothiophen-2-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C13H7OBrCl2S
Smiles	O=C(/C=C/c1cc(Br)cs1)c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C13H7BrCl2OS/c14-9-6-10(18-7-9)2-4-13(17)8-1-3-11(15)12(16)5-8/h1-7H
InChIK	WDBQLLUPNITGAT-UHFFFAOYSA-N
TotalMolweight	362.074
Molweight	362.074
MonoisotopicMass	359.8778
CLogP	5.1076
CLogS	-6.156
H Acceptors	1
TotalSurfaceArea	222.68
Relative PSA	0.14999
PolarSurfaceArea	45.31
Druglikeness	-3.4959
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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