(3E)-3-[(4-nitrophenyl)methylidene]oxolan-2-one

Formula:C11H9NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[(4-nitrophenyl)methylidene]oxolan-2-one is a drug-like molecule.

MolName	(3E)-3-[(4-nitrophenyl)methylidene]oxolan-2-one
MolecularFormula	C11H9NO4
Smiles	[O-][N+](c1ccc(/C=C(\CCO2)/C2=O)cc1)=O
InChI	InChI=1S/C11H9NO4/c13-11-9(5-6-16-11)7-8-1-3-10(4-2-8)12(14)15/h1-4,7H,5-6H2
InChIK	IYGVSTGAXJZLHE-UHFFFAOYSA-N
TotalMolweight	219.195
Molweight	219.195
MonoisotopicMass	219.053159
CLogP	0.8054
CLogS	-2.827
H Acceptors	5
TotalSurfaceArea	163.41
Relative PSA	0.32715
PolarSurfaceArea	72.12
Druglikeness	-4.6536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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