(4E)-4-[(2-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one

Formula:C16H9N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E)-4-[(2-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(2-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C16H9N2O4F
Smiles	[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C/c(cccc1)c1F)=O
InChI	InChI=1S/C16H9FN2O4/c17-13-4-2-1-3-11(13)9-14-16(20)23-15(18-14)10-5-7-12(8-6-10)19(21)22/h1-9H
InChIK	MKRNJCLUJQFLIY-UHFFFAOYSA-N
TotalMolweight	312.255
Molweight	312.255
MonoisotopicMass	312.054636
CLogP	1.771
CLogS	-4.693
H Acceptors	6
TotalSurfaceArea	224.97
Relative PSA	0.28879
PolarSurfaceArea	84.48
Druglikeness	-5.5096
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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