(E)-3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one

Formula:C12H14N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C12H14N2O4
Smiles	[O-][N+](c1ccc(/C=C/C(N2CCCCC2)=O)o1)=O
InChI	InChI=1S/C12H14N2O4/c15-11(13-8-2-1-3-9-13)6-4-10-5-7-12(18-10)14(16)17/h4-7H,1-3,8-9H2
InChIK	OTYQYRFKLAFGLF-UHFFFAOYSA-N
TotalMolweight	250.253
Molweight	250.253
MonoisotopicMass	250.095358
CLogP	1.4456
CLogS	-3.252
H Acceptors	6
TotalSurfaceArea	196.47
Relative PSA	0.31109
PolarSurfaceArea	79.27
Druglikeness	-2.8765
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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