2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide

Formula:C15H11N3O5BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
MolecularFormulaC15H11N3O5BrCl
Smiles[O-][N+](c(cc1)c(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1O)=O
InChIInChI=1S/C15H11BrClN3O5/c16-12-6-10(17)1-4-14(12)25-8-15(22)19-18-7-9-5-11(21)2-3-13(9)20(23)24/h1-7,21H,8H2,(H,19,22)
InChIKKRYNYMFZLSVYFS-UHFFFAOYSA-N
TotalMolweight428.625
Molweight428.625
MonoisotopicMass426.95706
CLogP2.8404
CLogS-5.235
H Acceptors8
H Donors2
TotalSurfaceArea274.82
Relative PSA0.32578
PolarSurfaceArea116.74
Druglikeness-2.6779
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
AcidicOxygens1
StereoCon

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