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

Formula:C15H11N4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-benzylideneamino]-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-benzylideneamino]-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H11N4BrS
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1ccccc1
InChI	InChI=1S/C15H11BrN4S/c16-13-9-5-4-8-12(13)14-18-19-15(21)20(14)17-10-11-6-2-1-3-7-11/h1-10H,(H,19,21)
InChIK	GEBFKJOLCPMCHY-UHFFFAOYSA-N
TotalMolweight	359.25
Molweight	359.25
MonoisotopicMass	357.988777
CLogP	4.0202
CLogS	-5.285
H Acceptors	4
H Donors	1
TotalSurfaceArea	240.35
Relative PSA	0.27472
PolarSurfaceArea	72.08
Druglikeness	1.8015
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	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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