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

Formula:C22H12N3O7I Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
MolecularFormula	C22H12N3O7I
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C2/N=C(c(cc3)ccc3I)OC2=O)c1)=O
InChI	InChI=1S/C22H12IN3O7/c23-15-6-4-14(5-7-15)21-24-18(22(27)33-21)11-13-2-1-3-17(10-13)32-20-9-8-16(25(28)29)12-19(20)26(30)31/h1-12H
InChIK	DTPLHARESSNZNN-UHFFFAOYSA-N
TotalMolweight	557.251
Molweight	557.251
MonoisotopicMass	556.972
CLogP	2.5813
CLogS	-8.152
H Acceptors	10
TotalSurfaceArea	338.33
Relative PSA	0.3115
PolarSurfaceArea	139.53
Druglikeness	-3.601
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
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
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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