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

Formula:C15H9N4BrClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4BrClFS
Smiles	Fc(cc1)c(/C=N\N(C(c2cc(Cl)ccc2)=NN2)C2=S)cc1Br
InChI	InChI=1S/C15H9BrClFN4S/c16-11-4-5-13(18)10(6-11)8-19-22-14(20-21-15(22)23)9-2-1-3-12(17)7-9/h1-8H,(H,21,23)
InChIK	MAUORAYWPKPDPC-UHFFFAOYSA-N
TotalMolweight	411.685
Molweight	411.685
MonoisotopicMass	409.940382
CLogP	4.727
CLogS	-6.335
H Acceptors	4
H Donors	1
TotalSurfaceArea	262.12
Relative PSA	0.25191
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	0.52174
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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