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

Formula:C15H8N4BrCl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H8N4BrCl2FS
Smiles	Fc(cc1)c(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=NN2)C2=S)cc1Br
InChI	InChI=1S/C15H8BrCl2FN4S/c16-9-1-4-13(19)8(5-9)7-20-23-14(21-22-15(23)24)11-3-2-10(17)6-12(11)18/h1-7H,(H,22,24)
InChIK	JSDFGTCPPGRDHW-UHFFFAOYSA-N
TotalMolweight	446.131
Molweight	446.131
MonoisotopicMass	443.901409
CLogP	5.333
CLogS	-7.071
H Acceptors	4
H Donors	1
TotalSurfaceArea	277.54
Relative PSA	0.23791
PolarSurfaceArea	72.08
Druglikeness	0.48445
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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