2-(2-nitrophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

Formula:C14H9N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-nitrophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-(2-nitrophenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
MolecularFormula	C14H9N3O3S
Smiles	[O-][N+](c(cccc1)c1-c1nnc(/C=C/c2cccs2)o1)=O
InChI	InChI=1S/C14H9N3O3S/c18-17(19)12-6-2-1-5-11(12)14-16-15-13(20-14)8-7-10-4-3-9-21-10/h1-9H
InChIK	CAQVZAVDUXLNNE-UHFFFAOYSA-N
TotalMolweight	299.309
Molweight	299.309
MonoisotopicMass	299.036462
CLogP	2.5262
CLogS	-5.235
H Acceptors	6
TotalSurfaceArea	226.1
Relative PSA	0.38403
PolarSurfaceArea	112.98
Druglikeness	-2.5033
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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