(E)-1-(4-fluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Formula:C13H8NO4F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-fluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
MolecularFormula	C13H8NO4F
Smiles	[O-][N+](c1ccc(/C=C/C(c(cc2)ccc2F)=O)o1)=O
InChI	InChI=1S/C13H8FNO4/c14-10-3-1-9(2-4-10)12(16)7-5-11-6-8-13(19-11)15(17)18/h1-8H
InChIK	VLKWFGFLBLHMCO-UHFFFAOYSA-N
TotalMolweight	261.208
Molweight	261.208
MonoisotopicMass	261.043737
CLogP	2.0231
CLogS	-4.821
H Acceptors	5
TotalSurfaceArea	196.98
Relative PSA	0.29226
PolarSurfaceArea	76.03
Druglikeness	-3.6701
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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