2-(2-bromo-4-nitrophenoxy)-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]acetamide

Formula:C16H11N3O6BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-nitrophenoxy)-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
MolecularFormula	C16H11N3O6BrCl
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C/c(cc1OCOc1c1)c1Cl)=O)=O
InChI	InChI=1S/C16H11BrClN3O6/c17-11-4-10(21(23)24)1-2-13(11)25-7-16(22)20-19-6-9-3-14-15(5-12(9)18)27-8-26-14/h1-6H,7-8H2,(H,20,22)
InChIK	APOQRHFQYPARKG-UHFFFAOYSA-N
TotalMolweight	456.635
Molweight	456.635
MonoisotopicMass	454.951975
CLogP	3.2975
CLogS	-6.242
H Acceptors	9
H Donors	1
TotalSurfaceArea	288.73
Relative PSA	0.33398
PolarSurfaceArea	114.97
Druglikeness	-2.7218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
AcidicOxygens	1
StereoCon

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