(E)-1-(4-iodophenyl)-3-thiophen-2-ylprop-2-en-1-one

Formula:C13H9OIS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-iodophenyl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-iodophenyl)-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C13H9OIS
Smiles	O=C(/C=C/c1cccs1)c(cc1)ccc1I
InChI	InChI=1S/C13H9IOS/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChIK	AUFXPMODKSMAMW-UHFFFAOYSA-N
TotalMolweight	340.179
Molweight	340.179
MonoisotopicMass	339.941883
CLogP	3.6075
CLogS	-4.866
H Acceptors	1
TotalSurfaceArea	199.49
Relative PSA	0.16743
PolarSurfaceArea	45.31
Druglikeness	2.9685
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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