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

Formula:C18H9N4BrClF3S2 Mutagenic:none Tumorigenic:high Reproductive Effective:low 5-[(E)-2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is not a drug-like molecule.

MolName	5-[(E)-2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
MolecularFormula	C18H9N4BrClF3S2
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2Br)snc1Sc1ncc(C(F)(F)F)cc1Cl
InChI	InChI=1S/C18H9BrClF3N4S2/c19-11-1-3-12(4-2-11)25-6-5-15-13(8-24)16(27-29-15)28-17-14(20)7-10(9-26-17)18(21,22)23/h1-7,9,25H
InChIK	YWFJFOQIGDGLJT-UHFFFAOYSA-N
TotalMolweight	517.78
Molweight	517.78
MonoisotopicMass	515.909258
CLogP	5.4253
CLogS	-5.686
H Acceptors	4
H Donors	1
TotalSurfaceArea	326.91
Relative PSA	0.25943
PolarSurfaceArea	115.14
Druglikeness	-11.701
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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

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