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

Formula:C15H5NO3ClF5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C15H5NO3ClF5
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c(c(F)c(c(F)c2F)F)c2F)=O)c1Cl)=O
InChI	InChI=1S/C15H5ClF5NO3/c16-8-3-1-6(5-9(8)22(24)25)10(23)4-2-7-11(17)13(19)15(21)14(20)12(7)18/h1-5H
InChIK	AXAKFRQJCTWJLW-UHFFFAOYSA-N
TotalMolweight	377.652
Molweight	377.652
MonoisotopicMass	376.987811
CLogP	3.4922
CLogS	-6.606
H Acceptors	4
TotalSurfaceArea	248.11
Relative PSA	0.17516
PolarSurfaceArea	62.89
Druglikeness	-6.285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; polyhalo aromatic ring
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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