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

Formula:C13H8N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(5-nitrofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(5-nitrofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
MolecularFormula	C13H8N2O6
Smiles	[O-][N+](c1ccc(C(/C=C/c2cccc([N+]([O-])=O)c2)=O)o1)=O
InChI	InChI=1S/C13H8N2O6/c16-11(12-6-7-13(21-12)15(19)20)5-4-9-2-1-3-10(8-9)14(17)18/h1-8H
InChIK	LBAWXTJNRZSULI-UHFFFAOYSA-N
TotalMolweight	288.215
Molweight	288.215
MonoisotopicMass	288.038238
CLogP	1.0007
CLogS	-4.967
H Acceptors	8
TotalSurfaceArea	214.3
Relative PSA	0.41059
PolarSurfaceArea	121.85
Druglikeness	-2.0536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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