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

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

MolName	(4E)-2-(4-chloro-3-nitrophenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8N2O4Cl2
Smiles	[O-][N+](c(cc(cc1)C(OC2=O)=N/C2=C/c2cc(Cl)ccc2)c1Cl)=O
InChI	InChI=1S/C16H8Cl2N2O4/c17-11-3-1-2-9(6-11)7-13-16(21)24-15(19-13)10-4-5-12(18)14(8-10)20(22)23/h1-8H
InChIK	BSHRLOROWDNKHJ-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	0.54167
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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