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

Formula:C15H9N4BrF2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4BrF2S
Smiles	Fc(cc1)c(/C=N\N(C(c(cccc2)c2F)=NN2)C2=S)cc1Br
InChI	InChI=1S/C15H9BrF2N4S/c16-10-5-6-12(17)9(7-10)8-19-22-14(20-21-15(22)23)11-3-1-2-4-13(11)18/h1-8H,(H,21,23)
InChIK	BFLCVIJHCOGYJE-UHFFFAOYSA-N
TotalMolweight	395.23
Molweight	395.23
MonoisotopicMass	393.969933
CLogP	4.2218
CLogS	-5.913
H Acceptors	4
H Donors	1
TotalSurfaceArea	253.05
Relative PSA	0.26094
PolarSurfaceArea	72.08
Druglikeness	0.46147
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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