4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C15H8N4Cl3FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H8N4Cl3FS
Smiles	Fc1cccc(Cl)c1C=NN(C(c(ccc(Cl)c1)c1Cl)=NN1)C1=S
InChI	InChI=1S/C15H8Cl3FN4S/c16-8-4-5-9(12(18)6-8)14-21-22-15(24)23(14)20-7-10-11(17)2-1-3-13(10)19/h1-7H,(H,22,24)
InChIK	DBWDNJBUJUECQN-UHFFFAOYSA-N
TotalMolweight	401.68
Molweight	401.68
MonoisotopicMass	399.951925
CLogP	5.2138
CLogS	-6.973
H Acceptors	4
H Donors	1
TotalSurfaceArea	274.33
Relative PSA	0.2407
PolarSurfaceArea	72.08
Druglikeness	2.2745
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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1 - 4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

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