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

Formula:C15H9N4Cl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4Cl2FS
Smiles	Fc1cccc(Cl)c1C=NN(C(c1cc(Cl)ccc1)=NN1)C1=S
InChI	InChI=1S/C15H9Cl2FN4S/c16-10-4-1-3-9(7-10)14-20-21-15(23)22(14)19-8-11-12(17)5-2-6-13(11)18/h1-8H,(H,21,23)
InChIK	XUZKVPVWXXXCKP-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	0.52174
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
StereoCon

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

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