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

Formula:C15H9N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-chlorophenyl)ethenyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	6-[(E)-2-(4-chlorophenyl)ethenyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C15H9N4OClS
Smiles	Clc1ccc(/C=C/c(s2)nn3c2nnc3-c2ccco2)cc1
InChI	InChI=1S/C15H9ClN4OS/c16-11-6-3-10(4-7-11)5-8-13-19-20-14(12-2-1-9-21-12)17-18-15(20)22-13/h1-9H
InChIK	AWTRTPYUNLJYQI-UHFFFAOYSA-N
TotalMolweight	328.782
Molweight	328.782
MonoisotopicMass	328.018558
CLogP	3.031
CLogS	-3.335
H Acceptors	5
TotalSurfaceArea	241.86
Relative PSA	0.31146
PolarSurfaceArea	84.46
Druglikeness	3.2848
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63636
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
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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1 - 6-[(E)-2-(4-chlorophenyl)ethenyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | 2 - 6-[(E)-2-(4-chlorophenyl)ethenyl]-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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