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

Formula:C17H13N4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(4-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(4-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H13N4FS
Smiles	Fc(cc1)ccc1C(N1/N=C\C=C\c2ccccc2)=NNC1=S
InChI	InChI=1S/C17H13FN4S/c18-15-10-8-14(9-11-15)16-20-21-17(23)22(16)19-12-4-7-13-5-2-1-3-6-13/h1-12H,(H,21,23)
InChIK	NTWWXFFAYQDLBC-UHFFFAOYSA-N
TotalMolweight	324.382
Molweight	324.382
MonoisotopicMass	324.084494
CLogP	3.4141
CLogS	-5.057
H Acceptors	4
H Donors	1
TotalSurfaceArea	254.57
Relative PSA	0.25938
PolarSurfaceArea	72.08
Druglikeness	2.2875
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
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 - 3-(4-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione | 2 - 3-(4-fluorophenyl)-4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

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