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

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

MolName	3-(2-bromophenyl)-4-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4BrCl2S
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c(cccc1Cl)c1Cl
InChI	InChI=1S/C15H9BrCl2N4S/c16-11-6-2-1-5-10(11)14-20-21-15(23)22(14)19-8-9-4-3-7-12(17)13(9)18/h1-8H,(H,21,23)
InChIK	WHNOAKIAMSAWLJ-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	0.52174
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 - 3-(2-bromophenyl)-4-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-bromophenyl)-4-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

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