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

Formula:C16H11N4O8Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
MolecularFormula	C16H11N4O8Br
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O)=O
InChI	InChI=1S/C16H11BrN4O8/c17-11-4-10(20(23)24)1-2-13(11)27-7-16(22)19-18-6-9-3-14-15(29-8-28-14)5-12(9)21(25)26/h1-6H,7-8H2,(H,19,22)
InChIK	BTVZUXDJDWIJSQ-UHFFFAOYSA-N
TotalMolweight	467.187
Molweight	467.187
MonoisotopicMass	465.976027
CLogP	1.7699
CLogS	-5.966
H Acceptors	12
H Donors	1
TotalSurfaceArea	296.98
Relative PSA	0.42713
PolarSurfaceArea	160.79
Druglikeness	-2.7684
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
AcidicOxygens	2
StereoCon

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