(E)-1-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one

Formula:C14H9NO2ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
MolecularFormula	C14H9NO2ClF3S
Smiles	O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(scc1)c1Cl
InChI	InChI=1S/C14H9ClF3NO2S/c15-11-6-8-22-13(11)12(20)5-7-19-9-1-3-10(4-2-9)21-14(16,17)18/h1-8,19H
InChIK	LEAIFAUYVHNCDV-UHFFFAOYSA-N
TotalMolweight	347.743
Molweight	347.743
MonoisotopicMass	346.99946
CLogP	4.0461
CLogS	-5.555
H Acceptors	3
H Donors	1
TotalSurfaceArea	239.55
Relative PSA	0.22901
PolarSurfaceArea	66.57
Druglikeness	-5.6255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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