(E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C19H14N4O6 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C19H14N4O6
Smiles	[O-][N+](c1cc(/C=C/C(Nc2nnc(-c(cc3)cc4c3OCCO4)o2)=O)ccc1)=O
InChI	InChI=1S/C19H14N4O6/c24-17(7-4-12-2-1-3-14(10-12)23(25)26)20-19-22-21-18(29-19)13-5-6-15-16(11-13)28-9-8-27-15/h1-7,10-11H,8-9H2,(H,20,22,24)
InChIK	ACZYPRMUQVMXFK-UHFFFAOYSA-N
TotalMolweight	394.342
Molweight	394.342
MonoisotopicMass	394.091336
CLogP	2.3881
CLogS	-6.14
H Acceptors	10
H Donors	1
TotalSurfaceArea	293.39
Relative PSA	0.37823
PolarSurfaceArea	132.3
Druglikeness	-11.217
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

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