2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidine

Formula:C18H9N3Cl3F3S Mutagenic:none Tumorigenic:high Reproductive Effective:low 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidine is not a drug-like molecule.

MolName	2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidine
MolecularFormula	C18H9N3Cl3F3S
Smiles	FC(c(cn1)cc(Cl)c1Sc1nc(/C=C/c(ccc(Cl)c2)c2Cl)ccn1)(F)F
InChI	InChI=1S/C18H9Cl3F3N3S/c19-12-3-1-10(14(20)8-12)2-4-13-5-6-25-17(27-13)28-16-15(21)7-11(9-26-16)18(22,23)24/h1-9H
InChIK	ZTLSNXYGKILPRM-UHFFFAOYSA-N
TotalMolweight	462.709
Molweight	462.709
MonoisotopicMass	460.953482
CLogP	6.1834
CLogS	-6.281
H Acceptors	3
TotalSurfaceArea	308.77
Relative PSA	0.16323
PolarSurfaceArea	63.97
Druglikeness	-7.8412
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
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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