(E)-3-(3,5-difluorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one

Formula:C15H9NO3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,5-difluorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,5-difluorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H9NO3F2
Smiles	[O-][N+](c1cccc(C(/C=C/c2cc(F)cc(F)c2)=O)c1)=O
InChI	InChI=1S/C15H9F2NO3/c16-12-6-10(7-13(17)9-12)4-5-15(19)11-2-1-3-14(8-11)18(20)21/h1-9H
InChIK	DFZDZKYUXKTEKK-UHFFFAOYSA-N
TotalMolweight	289.236
Molweight	289.236
MonoisotopicMass	289.05505
CLogP	2.5838
CLogS	-4.928
H Acceptors	4
TotalSurfaceArea	213.64
Relative PSA	0.20343
PolarSurfaceArea	62.89
Druglikeness	-6.3876
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
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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