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

Formula:C16H7NO2BrCl2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(3-bromo-4-iodophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-2-(3-bromo-4-iodophenyl)-4-[(2,3-dichlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H7NO2BrCl2I
Smiles	O=C1OC(c(cc2)cc(Br)c2I)=N/C1=C/c(cccc1Cl)c1Cl
InChI	InChI=1S/C16H7BrCl2INO2/c17-10-6-9(4-5-12(10)20)15-21-13(16(22)23-15)7-8-2-1-3-11(18)14(8)19/h1-7H
InChIK	XNAGYLKEXPUGRK-UHFFFAOYSA-N
TotalMolweight	522.947
Molweight	522.947
MonoisotopicMass	520.808192
CLogP	4.9661
CLogS	-7.241
H Acceptors	3
TotalSurfaceArea	270.7
Relative PSA	0.12763
PolarSurfaceArea	38.66
Druglikeness	-0.29558
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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

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