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

Formula:C14H9N5BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H9N5BrFS
Smiles	Fc(cc1)c(/C=N\N(C(c2cnccc2)=NN2)C2=S)cc1Br
InChI	InChI=1S/C14H9BrFN5S/c15-11-3-4-12(16)10(6-11)8-18-21-13(19-20-14(21)22)9-2-1-5-17-7-9/h1-8H,(H,20,22)
InChIK	BQPKATGPPCBGEZ-UHFFFAOYSA-N
TotalMolweight	378.228
Molweight	378.228
MonoisotopicMass	376.974604
CLogP	3.1201
CLogS	-4.804
H Acceptors	5
H Donors	1
TotalSurfaceArea	245.46
Relative PSA	0.3137
PolarSurfaceArea	84.97
Druglikeness	0.46147
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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