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

Formula:C22H12N3O7F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
MolecularFormula	C22H12N3O7F
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C2/N=C(c(cccc3)c3F)OC2=O)c1)=O
InChI	InChI=1S/C22H12FN3O7/c23-17-7-2-1-6-16(17)21-24-18(22(27)33-21)11-13-4-3-5-15(10-13)32-20-9-8-14(25(28)29)12-19(20)26(30)31/h1-12H
InChIK	YUTHHMMVKWMGDZ-UHFFFAOYSA-N
TotalMolweight	449.349
Molweight	449.349
MonoisotopicMass	449.06593
CLogP	2.245
CLogS	-7.45
H Acceptors	10
TotalSurfaceArea	318.4
Relative PSA	0.331
PolarSurfaceArea	139.53
Druglikeness	-5.5096
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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