3-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile

Formula:C19H9N4Cl2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile is not a drug-like molecule.

MolName	3-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile
MolecularFormula	C19H9N4Cl2F3S
Smiles	N#Cc(ncc(C(F)(F)F)c1)c1Sc1nccc(/C=C/c(ccc(Cl)c2)c2Cl)n1
InChI	InChI=1S/C19H9Cl2F3N4S/c20-13-3-1-11(15(21)8-13)2-4-14-5-6-26-18(28-14)29-17-7-12(19(22,23)24)10-27-16(17)9-25/h1-8,10H
InChIK	LMHXBKKVYCDWSL-UHFFFAOYSA-N
TotalMolweight	453.274
Molweight	453.274
MonoisotopicMass	451.987704
CLogP	5.3696
CLogS	-6.579
H Acceptors	4
TotalSurfaceArea	315.06
Relative PSA	0.20301
PolarSurfaceArea	87.76
Druglikeness	-12.121
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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