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

Formula:C16H8N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(3,4-dichlorophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(3,4-dichlorophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8N2O4Cl2
Smiles	[O-][N+](c1cccc(/C=C2/N=C(c(cc3)cc(Cl)c3Cl)OC2=O)c1)=O
InChI	InChI=1S/C16H8Cl2N2O4/c17-12-5-4-10(8-13(12)18)15-19-14(16(21)24-15)7-9-2-1-3-11(6-9)20(22)23/h1-8H
InChIK	PFMMUFYRTOIGRD-UHFFFAOYSA-N
TotalMolweight	363.156
Molweight	363.156
MonoisotopicMass	361.986112
CLogP	2.8822
CLogS	-5.851
H Acceptors	6
TotalSurfaceArea	249.46
Relative PSA	0.26044
PolarSurfaceArea	84.48
Druglikeness	-4.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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