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

Formula:C13H8N4BrClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H8N4BrClS2
Smiles	S=C(NN=C1c2cc(Cl)ccc2)N1/N=C\c(s1)ccc1Br
InChI	InChI=1S/C13H8BrClN4S2/c14-11-5-4-10(21-11)7-16-19-12(17-18-13(19)20)8-2-1-3-9(15)6-8/h1-7H,(H,18,20)
InChIK	DDIHLPYISFYKNE-UHFFFAOYSA-N
TotalMolweight	399.724
Molweight	399.724
MonoisotopicMass	397.906224
CLogP	4.6975
CLogS	-6.048
H Acceptors	4
H Donors	1
TotalSurfaceArea	251.71
Relative PSA	0.34321
PolarSurfaceArea	100.32
Druglikeness	1.5957
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	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
StereoCon

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