(E)-1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]prop-2-en-1-one

Formula:C16H10NOCl2F3S Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]prop-2-en-1-one
MolecularFormula	C16H10NOCl2F3S
Smiles	O=C(/C=C/SCc(ncc(C(F)(F)F)c1)c1Cl)c(cc1)ccc1Cl
InChI	InChI=1S/C16H10Cl2F3NOS/c17-12-3-1-10(2-4-12)15(23)5-6-24-9-14-13(18)7-11(8-22-14)16(19,20)21/h1-8H,9H2
InChIK	MNVIUNQGDRKOEQ-UHFFFAOYSA-N
TotalMolweight	392.227
Molweight	392.227
MonoisotopicMass	390.981222
CLogP	4.4405
CLogS	-5.951
H Acceptors	2
TotalSurfaceArea	267.58
Relative PSA	0.15509
PolarSurfaceArea	55.26
Druglikeness	-6.4859
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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