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

Formula:C17H13N3O4Br2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C17H13N3O4Br2
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\C(\Br)=C\c1ccccc1)=O)=O
InChI	InChI=1S/C17H13Br2N3O4/c18-13(8-12-4-2-1-3-5-12)10-20-21-17(23)11-26-16-7-6-14(22(24)25)9-15(16)19/h1-10H,11H2,(H,21,23)
InChIK	WQHZCAJZZCXULM-UHFFFAOYSA-N
TotalMolweight	483.115
Molweight	483.115
MonoisotopicMass	480.927279
CLogP	3.191
CLogS	-5.92
H Acceptors	7
H Donors	1
TotalSurfaceArea	296.39
Relative PSA	0.25787
PolarSurfaceArea	96.51
Druglikeness	-5.9771
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
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)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide

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