(E)-3-phenyl-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one

Formula:C21H14OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-phenyl-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one
MolecularFormula	C21H14OS
Smiles	O=C(/C=C/c1ccccc1)c1ccc(C#Cc2ccccc2)s1
InChI	InChI=1S/C21H14OS/c22-20(15-12-18-9-5-2-6-10-18)21-16-14-19(23-21)13-11-17-7-3-1-4-8-17/h1-10,12,14-16H
InChIK	GUHHAZSXQKFBOV-UHFFFAOYSA-N
TotalMolweight	314.407
Molweight	314.407
MonoisotopicMass	314.076535
CLogP	5.4366
CLogS	-4.996
H Acceptors	1
TotalSurfaceArea	262.77
Relative PSA	0.12711
PolarSurfaceArea	45.31
Druglikeness	-1.5251
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
StereoCon

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