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

Formula:C22H12N4O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C22H12N4O9
Smiles	[O-][N+](c1cccc(C(OC2=O)=N/C2=C/c2cccc(Oc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)c2)c1)=O
InChI	InChI=1S/C22H12N4O9/c27-22-18(23-21(35-22)14-4-2-5-15(11-14)24(28)29)10-13-3-1-6-17(9-13)34-20-8-7-16(25(30)31)12-19(20)26(32)33/h1-12H
InChIK	XZMMGBBZOHTYNH-UHFFFAOYSA-N
TotalMolweight	476.356
Molweight	476.356
MonoisotopicMass	476.060431
CLogP	1.2226
CLogS	-7.596
H Acceptors	13
TotalSurfaceArea	335.72
Relative PSA	0.40453
PolarSurfaceArea	185.35
Druglikeness	-4.1696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
AcidicOxygens	3
StereoCon

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