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

Formula:C20H20OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[5-(3-cyclohexylprop-1-ynyl)thiophen-2-yl]-3-thiophen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[5-(3-cyclohexylprop-1-ynyl)thiophen-2-yl]-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C20H20OS2
Smiles	O=C(/C=C/c1cccs1)c1ccc(C#CCC2CCCCC2)s1
InChI	InChI=1S/C20H20OS2/c21-19(13-11-17-10-5-15-22-17)20-14-12-18(23-20)9-4-8-16-6-2-1-3-7-16/h5,10-16H,1-3,6-8H2
InChIK	TYOGGFOGRQPGBB-UHFFFAOYSA-N
TotalMolweight	340.51
Molweight	340.51
MonoisotopicMass	340.095555
CLogP	5.939
CLogS	-6.861
H Acceptors	1
TotalSurfaceArea	280.51
Relative PSA	0.19165
PolarSurfaceArea	73.55
Druglikeness	-6.0804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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