(E)-3-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)prop-2-en-1-one

Formula:C15H9NO3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H9NO3BrCl
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c2cccc(Br)c2)=O)c1Cl)=O
InChI	InChI=1S/C15H9BrClNO3/c16-12-3-1-2-10(8-12)4-7-15(19)11-5-6-13(17)14(9-11)18(20)21/h1-9H
InChIK	WUORBEWHTWWIJL-UHFFFAOYSA-N
TotalMolweight	366.597
Molweight	366.597
MonoisotopicMass	364.945432
CLogP	3.7134
CLogS	-5.87
H Acceptors	4
TotalSurfaceArea	234.99
Relative PSA	0.18494
PolarSurfaceArea	62.89
Druglikeness	-6.735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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