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

Formula:C22H11N3O7Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(2,4-dichlorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-2-(2,4-dichlorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C22H11N3O7Cl2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C2/N=C(c(ccc(Cl)c3)c3Cl)OC2=O)c1)=O
InChI	InChI=1S/C22H11Cl2N3O7/c23-13-4-6-16(17(24)10-13)21-25-18(22(28)34-21)9-12-2-1-3-15(8-12)33-20-7-5-14(26(29)30)11-19(20)27(31)32/h1-11H
InChIK	NQHYNUXHPFIMFW-UHFFFAOYSA-N
TotalMolweight	500.249
Molweight	500.249
MonoisotopicMass	498.997406
CLogP	3.3562
CLogS	-8.608
H Acceptors	10
TotalSurfaceArea	342.89
Relative PSA	0.30736
PolarSurfaceArea	139.53
Druglikeness	-4.0702
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
AcidicOxygens	2
StereoCon

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

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