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

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

MolName	(E)-1-(3-bromothiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C13H7OBrCl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(scc1)c1Br
InChI	InChI=1S/C13H7BrCl2OS/c14-10-5-6-18-13(10)12(17)4-2-8-1-3-9(15)7-11(8)16/h1-7H
InChIK	KBEGOCUVLRQRNU-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	-3.3673
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.61111
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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