2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C17H14N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C17H14N3O4Br
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C17H14BrN3O4/c18-15-11-14(21(23)24)8-9-16(15)25-12-17(22)20-19-10-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,22)
InChIK	FRCPHJDLVKLWHX-UHFFFAOYSA-N
TotalMolweight	404.219
Molweight	404.219
MonoisotopicMass	403.016768
CLogP	2.5984
CLogS	-5.087
H Acceptors	7
H Donors	1
TotalSurfaceArea	279.55
Relative PSA	0.2734
PolarSurfaceArea	96.51
Druglikeness	-2.6267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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