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

Formula:C19H12OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[5-(2-phenylethynyl)thiophen-2-yl]-3-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[5-(2-phenylethynyl)thiophen-2-yl]-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C19H12OS2
Smiles	O=C(/C=C/c1cccs1)c1ccc(C#Cc2ccccc2)s1
InChI	InChI=1S/C19H12OS2/c20-18(12-10-16-7-4-14-21-16)19-13-11-17(22-19)9-8-15-5-2-1-3-6-15/h1-7,10-14H
InChIK	YRMZJXOVEIERDP-UHFFFAOYSA-N
TotalMolweight	320.435
Molweight	320.435
MonoisotopicMass	320.032955
CLogP	5.3032
CLogS	-5.006
H Acceptors	1
TotalSurfaceArea	258.71
Relative PSA	0.2078
PolarSurfaceArea	73.55
Druglikeness	-0.9875
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
StereoCon

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