4-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione

Formula:C16H12N4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione is a drug-like molecule.

MolName	4-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione
MolecularFormula	C16H12N4BrClS
Smiles	S=C(N(Cc(cccc1)c1Cl)N=C1)N1/N=C\c(cc1)ccc1Br
InChI	InChI=1S/C16H12BrClN4S/c17-14-7-5-12(6-8-14)9-19-22-11-20-21(16(22)23)10-13-3-1-2-4-15(13)18/h1-9,11H,10H2
InChIK	MNKFGFAKKFHUBH-UHFFFAOYSA-N
TotalMolweight	407.722
Molweight	407.722
MonoisotopicMass	405.965454
CLogP	4.4155
CLogS	-5.838
H Acceptors	4
TotalSurfaceArea	270.16
Relative PSA	0.21513
PolarSurfaceArea	63.29
Druglikeness	2.132
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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1 - 4-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione | 2 - 4-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl]-1,2,4-triazole-3-thione

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