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

Formula:C15H9N4FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-fluorophenyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	3-(2-fluorophenyl)-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C15H9N4FS2
Smiles	Fc(cccc1)c1-c1nnc2sc(/C=C/c3cccs3)nn12
InChI	InChI=1S/C15H9FN4S2/c16-12-6-2-1-5-11(12)14-17-18-15-20(14)19-13(22-15)8-7-10-4-3-9-21-10/h1-9H
InChIK	DITJWMMARQWHLR-UHFFFAOYSA-N
TotalMolweight	328.394
Molweight	328.394
MonoisotopicMass	328.025264
CLogP	3.1667
CLogS	-3.573
H Acceptors	4
TotalSurfaceArea	239.04
Relative PSA	0.34128
PolarSurfaceArea	99.56
Druglikeness	2.8821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	4
StereoCon

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

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