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

Formula:C13H7N4BrCl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H7N4BrCl2S2
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c(s1)ccc1Br
InChI	InChI=1S/C13H7BrCl2N4S2/c14-11-4-2-8(22-11)6-17-20-12(18-19-13(20)21)9-3-1-7(15)5-10(9)16/h1-6H,(H,19,21)
InChIK	MPJRONGLSGYPDW-UHFFFAOYSA-N
TotalMolweight	434.169
Molweight	434.169
MonoisotopicMass	431.867251
CLogP	5.3035
CLogS	-6.784
H Acceptors	4
H Donors	1
TotalSurfaceArea	267.13
Relative PSA	0.3234
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	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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