(E)-1-(4-chloro-3-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C16H9NO3ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormula	C16H9NO3ClF3
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c2ccc(C(F)(F)F)cc2)=O)c1Cl)=O
InChI	InChI=1S/C16H9ClF3NO3/c17-13-7-4-11(9-14(13)21(23)24)15(22)8-3-10-1-5-12(6-2-10)16(18,19)20/h1-9H
InChIK	KNFFHWXMNGDHCU-UHFFFAOYSA-N
TotalMolweight	355.698
Molweight	355.698
MonoisotopicMass	355.022305
CLogP	3.8365
CLogS	-5.814
H Acceptors	4
TotalSurfaceArea	245.82
Relative PSA	0.1768
PolarSurfaceArea	62.89
Druglikeness	-12.135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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