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

Formula:C13H8N3O5Br3 Mutagenic:high Tumorigenic:none Reproductive Effective:low 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
MolecularFormula	C13H8N3O5Br3
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\c(o1)cc(Br)c1Br)=O)=O
InChI	InChI=1S/C13H8Br3N3O5/c14-9-3-7(19(21)22)1-2-11(9)23-6-12(20)18-17-5-8-4-10(15)13(16)24-8/h1-5H,6H2,(H,18,20)
InChIK	QJJFHQXFQQMHEA-UHFFFAOYSA-N
TotalMolweight	525.935
Molweight	525.935
MonoisotopicMass	522.801405
CLogP	3.3166
CLogS	-5.908
H Acceptors	8
H Donors	1
TotalSurfaceArea	280
Relative PSA	0.32336
PolarSurfaceArea	109.65
Druglikeness	-6.0063
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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