(4E)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one

Formula:C20H15N3O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H15N3O5Cl2
Smiles	[O-][N+](c(cc(/C=C1/N=C(c(ccc(Cl)c2)c2Cl)OC1=O)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C20H15Cl2N3O5/c21-13-2-3-14(15(22)11-13)19-23-16(20(26)30-19)9-12-1-4-17(18(10-12)25(27)28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2
InChIK	ZRTSFEMZPMDRGH-UHFFFAOYSA-N
TotalMolweight	448.261
Molweight	448.261
MonoisotopicMass	447.038876
CLogP	2.5512
CLogS	-5.954
H Acceptors	8
TotalSurfaceArea	311.3
Relative PSA	0.25223
PolarSurfaceArea	96.95
Druglikeness	-2.6834
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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1 - (4E)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(2,4-dichlorophenyl)-4-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one

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