4-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C13H8N4OBr2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H8N4OBr2S
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C13H8Br2N4OS/c14-10-6-9(20-11(10)15)7-16-19-12(17-18-13(19)21)8-4-2-1-3-5-8/h1-7H,(H,18,21)
InChIK	XPZUZORNWFMEJD-UHFFFAOYSA-N
TotalMolweight	428.108
Molweight	428.108
MonoisotopicMass	425.878553
CLogP	4.0315
CLogS	-5.564
H Acceptors	5
H Donors	1
TotalSurfaceArea	248.67
Relative PSA	0.32227
PolarSurfaceArea	85.22
Druglikeness	-1.6669
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	1,2-dihalo-alkene; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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