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

Formula:C17H12N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-(2-chlorophenyl)-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
MolecularFormula	C17H12N3O5ClS2
Smiles	[O-][N+](c(cc1)ccc1S(/C=C/CSc1nnc(-c(cccc2)c2Cl)o1)(=O)=O)=O
InChI	InChI=1S/C17H12ClN3O5S2/c18-15-5-2-1-4-14(15)16-19-20-17(26-16)27-10-3-11-28(24,25)13-8-6-12(7-9-13)21(22)23/h1-9,11H,10H2
InChIK	RFLJYXQKIPZKHC-UHFFFAOYSA-N
TotalMolweight	437.883
Molweight	437.883
MonoisotopicMass	436.990689
CLogP	2.7297
CLogS	-6.887
H Acceptors	8
TotalSurfaceArea	305.41
Relative PSA	0.36849
PolarSurfaceArea	152.56
Druglikeness	-7.339
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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