(E)-3-(5-chlorothiophen-2-yl)-1-(3-fluorophenyl)prop-2-en-1-one

Formula:C13H8OClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-chlorothiophen-2-yl)-1-(3-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-chlorothiophen-2-yl)-1-(3-fluorophenyl)prop-2-en-1-one
MolecularFormula	C13H8OClFS
Smiles	O=C(/C=C/c(s1)ccc1Cl)c1cc(F)ccc1
InChI	InChI=1S/C13H8ClFOS/c14-13-7-5-11(17-13)4-6-12(16)9-2-1-3-10(15)8-9/h1-8H
InChIK	HQHCIXIVEMIPLA-UHFFFAOYSA-N
TotalMolweight	266.723
Molweight	266.723
MonoisotopicMass	265.99684
CLogP	4.0819
CLogS	-4.917
H Acceptors	1
TotalSurfaceArea	194.98
Relative PSA	0.1713
PolarSurfaceArea	45.31
Druglikeness	0.70019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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