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

Formula:C17H11N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	6-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C17H11N5O2S
Smiles	[O-][N+](c1ccc(/C=C/c(s2)nn3c2nnc3-c2ccccc2)cc1)=O
InChI	InChI=1S/C17H11N5O2S/c23-22(24)14-9-6-12(7-10-14)8-11-15-20-21-16(18-19-17(21)25-15)13-4-2-1-3-5-13/h1-11H
InChIK	USPDUKHODVMMKQ-UHFFFAOYSA-N
TotalMolweight	349.373
Molweight	349.373
MonoisotopicMass	349.063345
CLogP	2.2777
CLogS	-3.709
H Acceptors	7
TotalSurfaceArea	260.42
Relative PSA	0.35189
PolarSurfaceArea	117.14
Druglikeness	-1.7579
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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