2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C19H13N4O7Br Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(2-bromo-4-nitrophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormula	C19H13N4O7Br
Smiles	[O-][N+](c1cccc(-c2ccc(/C=N\NC(COc(ccc([N+]([O-])=O)c3)c3Br)=O)o2)c1)=O
InChI	InChI=1S/C19H13BrN4O7/c20-16-9-14(24(28)29)4-6-18(16)30-11-19(25)22-21-10-15-5-7-17(31-15)12-2-1-3-13(8-12)23(26)27/h1-10H,11H2,(H,22,25)
InChIK	WBBXJDFSYNRJPJ-UHFFFAOYSA-N
TotalMolweight	489.237
Molweight	489.237
MonoisotopicMass	487.996762
CLogP	2.5974
CLogS	-6.715
H Acceptors	11
H Donors	1
TotalSurfaceArea	326.17
Relative PSA	0.37085
PolarSurfaceArea	155.47
Druglikeness	-0.45048
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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