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

Formula:C15H9N4Cl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4Cl2FS
Smiles	Fc1ccc(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=NN2)C2=S)cc1
InChI	InChI=1S/C15H9Cl2FN4S/c16-10-3-6-12(13(17)7-10)14-20-21-15(23)22(14)19-8-9-1-4-11(18)5-2-9/h1-8H,(H,21,23)
InChIK	VPWBKNJDKQBJOX-UHFFFAOYSA-N
TotalMolweight	367.234
Molweight	367.234
MonoisotopicMass	365.990898
CLogP	4.6078
CLogS	-6.237
H Acceptors	4
H Donors	1
TotalSurfaceArea	258.91
Relative PSA	0.25503
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	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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

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