4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C17H12N4BrClS Mutagenic:high Tumorigenic:low Reproductive Effective:high 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H12N4BrClS
Smiles	S=C(NN=C1c(cc2)ccc2Cl)N1/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C17H12BrClN4S/c18-14(10-12-4-2-1-3-5-12)11-20-23-16(21-22-17(23)24)13-6-8-15(19)9-7-13/h1-11H,(H,22,24)
InChIK	BMKJGUSHJUERCD-UHFFFAOYSA-N
TotalMolweight	419.733
Molweight	419.733
MonoisotopicMass	417.965454
CLogP	4.5119
CLogS	-6.312
H Acceptors	4
H Donors	1
TotalSurfaceArea	280.48
Relative PSA	0.23542
PolarSurfaceArea	72.08
Druglikeness	-1.4696
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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1 - 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

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