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

Formula:C16H7NO2ClF2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName(4Z)-2-(2-chloro-4,5-difluorophenyl)-4-[(2-iodophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormulaC16H7NO2ClF2I
SmilesO=C1OC(c(cc(c(F)c2)F)c2Cl)=N/C1=C\c(cccc1)c1I
InChIInChI=1S/C16H7ClF2INO2/c17-10-7-12(19)11(18)6-9(10)15-21-14(16(22)23-15)5-8-3-1-2-4-13(8)20/h1-7H
InChIKQFSBEEQNWDUHSJ-UHFFFAOYSA-N
TotalMolweight445.586
Molweight445.586
MonoisotopicMass444.91781
CLogP3.8365
CLogS-6.299
H Acceptors3
TotalSurfaceArea249.35
Relative PSA0.13856
PolarSurfaceArea38.66
Druglikeness0.15442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolyhalo aromatic ring
Shape Index0.56522
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
StereoCon

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