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

Formula:C16H8NO2Cl2I Mutagenic:none Tumorigenic:high Reproductive Effective:none (4E)-2-(2-chloro-5-iodophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(2-chloro-5-iodophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H8NO2Cl2I
Smiles	O=C1OC(c(cc(cc2)I)c2Cl)=N/C1=C/c(cccc1)c1Cl
InChI	InChI=1S/C16H8Cl2INO2/c17-12-4-2-1-3-9(12)7-14-16(21)22-15(20-14)11-8-10(19)5-6-13(11)18/h1-8H
InChIK	RNFJISWXELFUKO-UHFFFAOYSA-N
TotalMolweight	444.051
Molweight	444.051
MonoisotopicMass	442.897681
CLogP	4.2409
CLogS	-6.407
H Acceptors	3
TotalSurfaceArea	252.07
Relative PSA	0.13707
PolarSurfaceArea	38.66
Druglikeness	1.4944
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
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
StereoCon

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