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

Formula:C22H11N3O7ClI Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C22H11N3O7ClI
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=C2\N=C(c(cc(cc3)I)c3Cl)OC2=O)cc1)=O
InChI	InChI=1S/C22H11ClIN3O7/c23-17-7-3-13(24)10-16(17)21-25-18(22(28)34-21)9-12-1-5-15(6-2-12)33-20-8-4-14(26(29)30)11-19(20)27(31)32/h1-11H
InChIK	LYQIPOVSSDCRPB-UHFFFAOYSA-N
TotalMolweight	591.696
Molweight	591.696
MonoisotopicMass	590.933027
CLogP	3.1873
CLogS	-8.888
H Acceptors	10
TotalSurfaceArea	353.75
Relative PSA	0.29792
PolarSurfaceArea	139.53
Druglikeness	-3.5092
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
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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1 - (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-(2-chloro-5-iodophenyl)-4-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one

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