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

Formula:C16H7N2O4Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(2-chloro-5-nitrophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(2-chloro-5-nitrophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H7N2O4Cl3
Smiles	[O-][N+](c(cc1)cc(C(OC2=O)=N/C2=C/c2cccc(Cl)c2Cl)c1Cl)=O
InChI	InChI=1S/C16H7Cl3N2O4/c17-11-5-4-9(21(23)24)7-10(11)15-20-13(16(22)25-15)6-8-2-1-3-12(18)14(8)19/h1-7H
InChIK	NXLILVSOMLJGGF-UHFFFAOYSA-N
TotalMolweight	397.601
Molweight	397.601
MonoisotopicMass	395.947139
CLogP	3.4882
CLogS	-6.587
H Acceptors	6
TotalSurfaceArea	264.88
Relative PSA	0.24528
PolarSurfaceArea	84.48
Druglikeness	-4.0702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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