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

Formula:C16H8N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(4-chloro-3-nitrophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(4-chloro-3-nitrophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8N2O4ClF
Smiles	[O-][N+](c(cc(cc1)C(OC2=O)=N/C2=C/c(cc2)ccc2F)c1Cl)=O
InChI	InChI=1S/C16H8ClFN2O4/c17-12-6-3-10(8-14(12)20(22)23)15-19-13(16(21)24-15)7-9-1-4-11(18)5-2-9/h1-8H
InChIK	LWRJMLQSXFJTOP-UHFFFAOYSA-N
TotalMolweight	346.701
Molweight	346.701
MonoisotopicMass	346.015663
CLogP	2.377
CLogS	-5.429
H Acceptors	6
TotalSurfaceArea	240.39
Relative PSA	0.27027
PolarSurfaceArea	84.48
Druglikeness	-5.4102
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
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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