3-(2,4-dichlorophenyl)-4-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C16H9N4Cl2F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H9N4Cl2F3S
Smiles	FC(c1ccc(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=NN2)C2=S)cc1)(F)F
InChI	InChI=1S/C16H9Cl2F3N4S/c17-11-5-6-12(13(18)7-11)14-23-24-15(26)25(14)22-8-9-1-3-10(4-2-9)16(19,20)21/h1-8H,(H,24,26)
InChIK	FPJKSEWINPFALO-UHFFFAOYSA-N
TotalMolweight	417.241
Molweight	417.241
MonoisotopicMass	415.987704
CLogP	5.3553
CLogS	-6.701
H Acceptors	4
H Donors	1
TotalSurfaceArea	282.02
Relative PSA	0.23413
PolarSurfaceArea	72.08
Druglikeness	-3.5755
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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1 - 3-(2,4-dichlorophenyl)-4-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2,4-dichlorophenyl)-4-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

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