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

Formula:C13H9N4BrS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H9N4BrS2
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1cccs1
InChI	InChI=1S/C13H9BrN4S2/c14-11-6-2-1-5-10(11)12-16-17-13(19)18(12)15-8-9-4-3-7-20-9/h1-8H,(H,17,19)
InChIK	WKFDDDIQRRRSJR-UHFFFAOYSA-N
TotalMolweight	365.278
Molweight	365.278
MonoisotopicMass	363.945197
CLogP	3.8868
CLogS	-5.295
H Acceptors	4
H Donors	1
TotalSurfaceArea	236.29
Relative PSA	0.36561
PolarSurfaceArea	100.32
Druglikeness	3.5065
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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