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

Formula:C21H15N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-naphthalen-2-yl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-naphthalen-2-yl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
MolecularFormula	C21H15N3O5S2
Smiles	[O-][N+](c(cc1)ccc1S(/C=C/CSc1nnc(-c2cc3ccccc3cc2)o1)(=O)=O)=O
InChI	InChI=1S/C21H15N3O5S2/c25-24(26)18-8-10-19(11-9-18)31(27,28)13-3-12-30-21-23-22-20(29-21)17-7-6-15-4-1-2-5-16(15)14-17/h1-11,13-14H,12H2
InChIK	MAGIFRKGJXDXOP-UHFFFAOYSA-N
TotalMolweight	453.498
Molweight	453.498
MonoisotopicMass	453.045312
CLogP	3.3181
CLogS	-7.757
H Acceptors	8
TotalSurfaceArea	324.59
Relative PSA	0.34671
PolarSurfaceArea	152.56
Druglikeness	-10.284
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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