(E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C17H12N4O6S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C17H12N4O6S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nnc(C3Oc(cccc4)c4OC3)o2)=O)s1)=O
InChI	InChI=1S/C17H12N4O6S/c22-14(7-5-10-6-8-15(28-10)21(23)24)18-17-20-19-16(27-17)13-9-25-11-3-1-2-4-12(11)26-13/h1-8,13H,9H2,(H,18,20,22)/t13-/m0/s1
InChIK	FUABMEFEALFMPE-ZDUSSCGKSA-N
TotalMolweight	400.37
Molweight	400.37
MonoisotopicMass	400.047756
CLogP	2.207
CLogS	-4.533
H Acceptors	10
H Donors	1
TotalSurfaceArea	288.07
Relative PSA	0.4559
PolarSurfaceArea	160.54
Druglikeness	-2.6366
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon	racemate

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1 - (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide | 2 - (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

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