3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile

Formula:C19H9N4ClF6S2 Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile is not a drug-like molecule.

MolName	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[(E)-2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
MolecularFormula	C19H9N4ClF6S2
Smiles	N#Cc1c(/C=C/Nc2cc(C(F)(F)F)ccc2)snc1Sc(ncc(C(F)(F)F)c1)c1Cl
InChI	InChI=1S/C19H9ClF6N4S2/c20-14-7-11(19(24,25)26)9-29-17(14)31-16-13(8-27)15(32-30-16)4-5-28-12-3-1-2-10(6-12)18(21,22)23/h1-7,9,28H
InChIK	RLMAOCOLVAILLM-UHFFFAOYSA-N
TotalMolweight	506.881
Molweight	506.881
MonoisotopicMass	505.986131
CLogP	5.5484
CLogS	-5.63
H Acceptors	4
H Donors	1
TotalSurfaceArea	337.74
Relative PSA	0.25111
PolarSurfaceArea	115.14
Druglikeness	-9.9115
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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