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

Formula:C11H7N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is a drug-like molecule.

MolName	6-[(E)-2-(4-nitrophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MolecularFormula	C11H7N5O2S
Smiles	[O-][N+](c1ccc(/C=C/c(s2)nn3c2nnc3)cc1)=O
InChI	InChI=1S/C11H7N5O2S/c17-16(18)9-4-1-8(2-5-9)3-6-10-14-15-7-12-13-11(15)19-10/h1-7H
InChIK	UPHKUBFULAWFLA-UHFFFAOYSA-N
TotalMolweight	273.276
Molweight	273.276
MonoisotopicMass	273.032045
CLogP	0.6347
CLogS	-1.564
H Acceptors	7
TotalSurfaceArea	200.66
Relative PSA	0.45669
PolarSurfaceArea	117.14
Druglikeness	-1.564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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