3-phenyl-4-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C15H9N4OBr3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-phenyl-4-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-phenyl-4-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4OBr3S
Smiles	Oc(c(Br)cc(Br)c1C=NN(C(c2ccccc2)=NN2)C2=S)c1Br
InChI	InChI=1S/C15H9Br3N4OS/c16-10-6-11(17)13(23)12(18)9(10)7-19-22-14(20-21-15(22)24)8-4-2-1-3-5-8/h1-7,23H,(H,21,24)
InChIK	ZEZCBQRHYPXYGH-UHFFFAOYSA-N
TotalMolweight	533.041
Molweight	533.041
MonoisotopicMass	529.804714
CLogP	5.1249
CLogS	-6.657
H Acceptors	5
H Donors	2
TotalSurfaceArea	283.96
Relative PSA	0.27867
PolarSurfaceArea	92.31
Druglikeness	1.7119
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea; polyhalo aromatic ring
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	2
Symmetricatoms	2
StereoCon

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1 - 3-phenyl-4-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-phenyl-4-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

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