(E)-1,2-diphenyl-4-thiophen-2-ylbut-2-ene-1,4-dione

Formula:C20H14O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,2-diphenyl-4-thiophen-2-ylbut-2-ene-1,4-dione is a drug-like molecule.

MolName	(E)-1,2-diphenyl-4-thiophen-2-ylbut-2-ene-1,4-dione
MolecularFormula	C20H14O2S
Smiles	O=C(/C=C(/C(c1ccccc1)=O)\c1ccccc1)c1cccs1
InChI	InChI=1S/C20H14O2S/c21-18(19-12-7-13-23-19)14-17(15-8-3-1-4-9-15)20(22)16-10-5-2-6-11-16/h1-14H
InChIK	OSTYAUUBICSBDS-UHFFFAOYSA-N
TotalMolweight	318.395
Molweight	318.395
MonoisotopicMass	318.07145
CLogP	3.9444
CLogS	-4.895
H Acceptors	2
TotalSurfaceArea	248.93
Relative PSA	0.18656
PolarSurfaceArea	62.38
Druglikeness	3.0365
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
StereoCon

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