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

Formula:C15H8NOCl2F3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(4-chlorophenyl)-3-[3-chloro-2-sulfanylidene-5-(trifluoromethyl)pyridin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chlorophenyl)-3-[3-chloro-2-sulfanylidene-5-(trifluoromethyl)pyridin-1-yl]prop-2-en-1-one
MolecularFormula	C15H8NOCl2F3S
Smiles	O=C(/C=C/N(C=C(C(F)(F)F)C=C1Cl)C1=S)c(cc1)ccc1Cl
InChI	InChI=1S/C15H8Cl2F3NOS/c16-11-3-1-9(2-4-11)13(22)5-6-21-8-10(15(18,19)20)7-12(17)14(21)23/h1-8H
InChIK	FKVHBJDCRRACKU-UHFFFAOYSA-N
TotalMolweight	378.201
Molweight	378.201
MonoisotopicMass	376.965572
CLogP	3.2254
CLogS	-6.079
H Acceptors	2
TotalSurfaceArea	256.74
Relative PSA	0.17368
PolarSurfaceArea	52.4
Druglikeness	-5.5568
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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