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

Formula:C16H11NO4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-en-1-one
MolecularFormula	C16H11NO4F2
Smiles	[O-][N+](c1c(/C=C/C(c(cc2)ccc2OC(F)F)=O)cccc1)=O
InChI	InChI=1S/C16H11F2NO4/c17-16(18)23-13-8-5-12(6-9-13)15(20)10-7-11-3-1-2-4-14(11)19(21)22/h1-10,16H
InChIK	OXVABUMATQZIGH-UHFFFAOYSA-N
TotalMolweight	319.262
Molweight	319.262
MonoisotopicMass	319.065615
CLogP	2.5516
CLogS	-4.922
H Acceptors	5
TotalSurfaceArea	236.14
Relative PSA	0.22639
PolarSurfaceArea	72.12
Druglikeness	-7.6935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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