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

Formula:C16H8NO2ClFI Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(2-chloro-5-iodophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(2-chloro-5-iodophenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8NO2ClFI
Smiles	O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(cc1)ccc1F
InChI	InChI=1S/C16H8ClFINO2/c17-13-6-5-11(19)8-12(13)15-20-14(16(21)22-15)7-9-1-3-10(18)4-2-9/h1-8H
InChIK	JUTHTSLFRWXYMI-UHFFFAOYSA-N
TotalMolweight	427.596
Molweight	427.596
MonoisotopicMass	426.927232
CLogP	3.7357
CLogS	-5.985
H Acceptors	3
TotalSurfaceArea	243
Relative PSA	0.14218
PolarSurfaceArea	38.66
Druglikeness	0.15442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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