2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole

Formula:C18H15N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole
MolecularFormula	C18H15N3O6S2
Smiles	[O-][N+](c(cc1)ccc1S(/C=C/CSc1nnc(COc2ccccc2)o1)(=O)=O)=O
InChI	InChI=1S/C18H15N3O6S2/c22-21(23)14-7-9-16(10-8-14)29(24,25)12-4-11-28-18-20-19-17(27-18)13-26-15-5-2-1-3-6-15/h1-10,12H,11,13H2
InChIK	YXANMFOWFJHAPX-UHFFFAOYSA-N
TotalMolweight	433.464
Molweight	433.464
MonoisotopicMass	433.040227
CLogP	1.7183
CLogS	-4.631
H Acceptors	9
TotalSurfaceArea	313.75
Relative PSA	0.39057
PolarSurfaceArea	161.79
Druglikeness	-7.6208
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	5
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole | 2 - 2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenoxymethyl)-1,3,4-oxadiazole

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