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

Formula:C16H10N5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(3-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	6-[(E)-2-(3-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C16H10N5FS
Smiles	Fc1cccc(/C=C/c(s2)nn3c2nnc3-c2cnccc2)c1
InChI	InChI=1S/C16H10FN5S/c17-13-5-1-3-11(9-13)6-7-14-21-22-15(19-20-16(22)23-14)12-4-2-8-18-10-12/h1-10H
InChIK	GIVLQUZQDCIKCS-UHFFFAOYSA-N
TotalMolweight	323.354
Molweight	323.354
MonoisotopicMass	323.064093
CLogP	2.2992
CLogS	-2.768
H Acceptors	5
TotalSurfaceArea	241.86
Relative PSA	0.29848
PolarSurfaceArea	84.21
Druglikeness	2.1249
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	5
StereoCon

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