3-benzyl-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula:C18H13N4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-benzyl-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-benzyl-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C18H13N4FS
Smiles	Fc1ccc(/C=C/c(s2)nn3c2nnc3Cc2ccccc2)cc1
InChI	InChI=1S/C18H13FN4S/c19-15-9-6-13(7-10-15)8-11-17-22-23-16(20-21-18(23)24-17)12-14-4-2-1-3-5-14/h1-11H,12H2
InChIK	VWMANNXKFVWMIP-UHFFFAOYSA-N
TotalMolweight	336.393
Molweight	336.393
MonoisotopicMass	336.084494
CLogP	3.3625
CLogS	-2.413
H Acceptors	4
TotalSurfaceArea	256.86
Relative PSA	0.23834
PolarSurfaceArea	71.32
Druglikeness	2.1827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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1 - 3-benzyl-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 3-benzyl-6-[(E)-2-(4-fluorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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