(E)-1-(4-nitrophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Formula:C15H6NO3F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-nitrophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-nitrophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C15H6NO3F5
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c(c(F)c(c(F)c1F)F)c1F)=O)=O
InChI	InChI=1S/C15H6F5NO3/c16-11-9(12(17)14(19)15(20)13(11)18)5-6-10(22)7-1-3-8(4-2-7)21(23)24/h1-6H
InChIK	ZKLXKAHJGUNPEL-UHFFFAOYSA-N
TotalMolweight	343.207
Molweight	343.207
MonoisotopicMass	343.026784
CLogP	2.8862
CLogS	-5.87
H Acceptors	4
TotalSurfaceArea	232.69
Relative PSA	0.18677
PolarSurfaceArea	62.89
Druglikeness	-6.3876
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; polyhalo aromatic ring
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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