(4E)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one

Formula:C21H14NO3IS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[[2-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
MolecularFormula	C21H14NO3IS
Smiles	O=C1OC(c2cccs2)=N/C1=C/c(cccc1)c1OCc(cc1)ccc1I
InChI	InChI=1S/C21H14INO3S/c22-16-9-7-14(8-10-16)13-25-18-5-2-1-4-15(18)12-17-21(24)26-20(23-17)19-6-3-11-27-19/h1-12H,13H2
InChIK	HURFEWLXTNWTNE-UHFFFAOYSA-N
TotalMolweight	487.312
Molweight	487.312
MonoisotopicMass	486.973912
CLogP	4.2436
CLogS	-6.286
H Acceptors	4
TotalSurfaceArea	300.69
Relative PSA	0.21587
PolarSurfaceArea	76.13
Druglikeness	2.9929
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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