(E)-3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one

Formula:C11H7O2IS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C11H7O2IS
Smiles	O=C(/C=C/c(o1)ccc1I)c1cccs1
InChI	InChI=1S/C11H7IO2S/c12-11-6-4-8(14-11)3-5-9(13)10-2-1-7-15-10/h1-7H
InChIK	YQQOACVWGWZJSB-UHFFFAOYSA-N
TotalMolweight	330.141
Molweight	330.141
MonoisotopicMass	329.921148
CLogP	2.8936
CLogS	-4.311
H Acceptors	2
TotalSurfaceArea	189.18
Relative PSA	0.25114
PolarSurfaceArea	58.45
Druglikeness	4.1114
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
StereoCon

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