4-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C22H16N4OBrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H16N4OBrFS
Smiles	Fc1cccc(COc(ccc(/C=N\N(C(c2ccccc2)=NN2)C2=S)c2)c2Br)c1
InChI	InChI=1S/C22H16BrFN4OS/c23-19-12-15(9-10-20(19)29-14-16-5-4-8-18(24)11-16)13-25-28-21(26-27-22(28)30)17-6-2-1-3-7-17/h1-13H,14H2,(H,27,30)
InChIK	FYXHYTNWNCXZAQ-UHFFFAOYSA-N
TotalMolweight	483.364
Molweight	483.364
MonoisotopicMass	482.02122
CLogP	5.4691
CLogS	-6.94
H Acceptors	5
H Donors	1
TotalSurfaceArea	330.22
Relative PSA	0.23024
PolarSurfaceArea	81.31
Druglikeness	0.048721
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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