2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

Formula:C22H17N4O5Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.

MolName	2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
MolecularFormula	C22H17N4O5Br
Smiles	[O-][N+](c1cccc(/C=N\NC(c(cccc2)c2OCC(Nc(cc2)ccc2Br)=O)=O)c1)=O
InChI	InChI=1S/C22H17BrN4O5/c23-16-8-10-17(11-9-16)25-21(28)14-32-20-7-2-1-6-19(20)22(29)26-24-13-15-4-3-5-18(12-15)27(30)31/h1-13H,14H2,(H,25,28)(H,26,29)
InChIK	GYQMHISBZXWFIH-UHFFFAOYSA-N
TotalMolweight	497.304
Molweight	497.304
MonoisotopicMass	496.038232
CLogP	3.7276
CLogS	-6.307
H Acceptors	9
H Donors	2
TotalSurfaceArea	342.02
Relative PSA	0.2951
PolarSurfaceArea	125.61
Druglikeness	-2.2298
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide | 2 - 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

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