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

Formula:C15H9N4OBr2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-chlorophenyl)-4-[(Z)-(2,4-dibromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2-chlorophenyl)-4-[(Z)-(2,4-dibromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4OBr2ClS
Smiles	Oc(c(Br)ccc1/C=N\N(C(c(cccc2)c2Cl)=NN2)C2=S)c1Br
InChI	InChI=1S/C15H9Br2ClN4OS/c16-10-6-5-8(12(17)13(10)23)7-19-22-14(20-21-15(22)24)9-3-1-2-4-11(9)18/h1-7,23H,(H,21,24)
InChIK	NLXONKLELODHSI-UHFFFAOYSA-N
TotalMolweight	488.59
Molweight	488.59
MonoisotopicMass	485.85523
CLogP	5.0057
CLogS	-6.559
H Acceptors	5
H Donors	2
TotalSurfaceArea	280.75
Relative PSA	0.28185
PolarSurfaceArea	92.31
Druglikeness	1.7456
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	2
StereoCon

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1 - 3-(2-chlorophenyl)-4-[(Z)-(2,4-dibromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-chlorophenyl)-4-[(Z)-(2,4-dibromo-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

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