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

Formula:C15H9N4BrCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-(2-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4BrCl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c(cccc1)c1Br
InChI	InChI=1S/C15H9BrCl2N4S/c16-12-4-2-1-3-9(12)8-19-22-14(20-21-15(22)23)11-6-5-10(17)7-13(11)18/h1-8H,(H,21,23)
InChIK	BBKJJLUHLPKHEC-UHFFFAOYSA-N
TotalMolweight	428.14
Molweight	428.14
MonoisotopicMass	425.910831
CLogP	5.2322
CLogS	-6.757
H Acceptors	4
H Donors	1
TotalSurfaceArea	271.19
Relative PSA	0.24348
PolarSurfaceArea	72.08
Druglikeness	1.8245
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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

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