(E)-3-[(E)-3-oxo-3-phenylprop-1-enyl]sulfanyl-1-phenylprop-2-en-1-one

Formula:C18H14O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[(E)-3-oxo-3-phenylprop-1-enyl]sulfanyl-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[(E)-3-oxo-3-phenylprop-1-enyl]sulfanyl-1-phenylprop-2-en-1-one
MolecularFormula	C18H14O2S
Smiles	O=C(/C=C/S/C=C/C(c1ccccc1)=O)c1ccccc1
InChI	InChI=1S/C18H14O2S/c19-17(15-7-3-1-4-8-15)11-13-21-14-12-18(20)16-9-5-2-6-10-16/h1-14H
InChIK	NSBJBEHHGKXENY-UHFFFAOYSA-N
TotalMolweight	294.373
Molweight	294.373
MonoisotopicMass	294.07145
CLogP	3.0564
CLogS	-4.655
H Acceptors	2
TotalSurfaceArea	239.01
Relative PSA	0.18229
PolarSurfaceArea	59.44
Druglikeness	0.33402
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	12
StereoCon

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