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

Formula:C22H10N3O7ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(2-chloro-4,5-difluorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-2-(2-chloro-4,5-difluorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C22H10N3O7ClF2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C2/N=C(c(cc(c(F)c3)F)c3Cl)OC2=O)c1)=O
InChI	InChI=1S/C22H10ClF2N3O7/c23-15-10-17(25)16(24)9-14(15)21-26-18(22(29)35-21)7-11-2-1-3-13(6-11)34-20-5-4-12(27(30)31)8-19(20)28(32)33/h1-10H
InChIK	SNDWURCZECMESY-UHFFFAOYSA-N
TotalMolweight	501.784
Molweight	501.784
MonoisotopicMass	501.017535
CLogP	2.9518
CLogS	-8.5
H Acceptors	10
TotalSurfaceArea	340.17
Relative PSA	0.30982
PolarSurfaceArea	139.53
Druglikeness	-5.4102
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; polyhalo aromatic ring
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
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-chloro-4,5-difluorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(2-chloro-4,5-difluorophenyl)-4-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-oxazol-5-one

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