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

Formula:C13H9N4O6BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C13H9N4O6BrS
Smiles	[O-][N+](c1ccc(/C=N\NC(COc(ccc(Br)c2)c2[N+]([O-])=O)=O)s1)=O
InChI	InChI=1S/C13H9BrN4O6S/c14-8-1-3-11(10(5-8)17(20)21)24-7-12(19)16-15-6-9-2-4-13(25-9)18(22)23/h1-6H,7H2,(H,16,19)
InChIK	ZIGSTJYRWGBZGZ-UHFFFAOYSA-N
TotalMolweight	429.206
Molweight	429.206
MonoisotopicMass	427.942617
CLogP	1.7147
CLogS	-5.415
H Acceptors	10
H Donors	1
TotalSurfaceArea	272.66
Relative PSA	0.46655
PolarSurfaceArea	170.57
Druglikeness	-1.4222
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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