(E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-3-ylhex-1-en-3-one

Formula:C16H13O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-3-ylhex-1-en-3-one is a drug-like molecule.

MolName	(E)-6,6,6-trifluoro-5-hydroxy-5-phenyl-1-thiophen-3-ylhex-1-en-3-one
MolecularFormula	C16H13O2F3S
Smiles	OC(CC(/C=C/c1cscc1)=O)(C(F)(F)F)c1ccccc1
InChI	InChI=1S/C16H13F3O2S/c17-16(18,19)15(21,13-4-2-1-3-5-13)10-14(20)7-6-12-8-9-22-11-12/h1-9,11,21H,10H2/t15-/m1/s1
InChIK	OHADLNDOWIELOA-OAHLLOKOSA-N
TotalMolweight	326.337
Molweight	326.337
MonoisotopicMass	326.058834
CLogP	3.833
CLogS	-4.357
H Acceptors	2
H Donors	1
TotalSurfaceArea	233.19
Relative PSA	0.19941
PolarSurfaceArea	65.54
Druglikeness	-9.1117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
StereoCon	racemate

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