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

Formula:C15H10N5O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N5O2BrS
Smiles	[O-][N+](c1c(/C=N\N(C(c(cccc2)c2Br)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C15H10BrN5O2S/c16-12-7-3-2-6-11(12)14-18-19-15(24)20(14)17-9-10-5-1-4-8-13(10)21(22)23/h1-9H,(H,19,24)
InChIK	UIQIJZYBXGPBHU-UHFFFAOYSA-N
TotalMolweight	404.247
Molweight	404.247
MonoisotopicMass	402.973856
CLogP	3.0986
CLogS	-5.745
H Acceptors	7
H Donors	1
TotalSurfaceArea	264.02
Relative PSA	0.36531
PolarSurfaceArea	117.9
Druglikeness	-3.4295
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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1 - 3-(2-bromophenyl)-4-[(Z)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-bromophenyl)-4-[(Z)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

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