2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide

Formula:C13H9N4O7Br Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
MolecularFormula	C13H9N4O7Br
Smiles	[O-][N+](c1ccc(/C=N\NC(COc(ccc([N+]([O-])=O)c2)c2Br)=O)o1)=O
InChI	InChI=1S/C13H9BrN4O7/c14-10-5-8(17(20)21)1-3-11(10)24-7-12(19)16-15-6-9-2-4-13(25-9)18(22)23/h1-6H,7H2,(H,16,19)
InChIK	LFESRIQRHSTJGL-UHFFFAOYSA-N
TotalMolweight	413.139
Molweight	413.139
MonoisotopicMass	411.965462
CLogP	1.1986
CLogS	-5.462
H Acceptors	11
H Donors	1
TotalSurfaceArea	266.41
Relative PSA	0.45404
PolarSurfaceArea	155.47
Druglikeness	1.2197
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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