[2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate

Formula:C22H15N3O6BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate is not a drug-like molecule.

MolName	[2-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] benzoate
MolecularFormula	C22H15N3O6BrCl
Smiles	[O-][N+](c(cc1)cc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)c1OC(c1ccccc1)=O)=O
InChI	InChI=1S/C22H15BrClN3O6/c23-18-11-16(24)6-8-20(18)32-13-21(28)26-25-12-15-10-17(27(30)31)7-9-19(15)33-22(29)14-4-2-1-3-5-14/h1-12H,13H2,(H,26,28)
InChIK	OFOXTVXXPRNPOL-UHFFFAOYSA-N
TotalMolweight	532.733
Molweight	532.733
MonoisotopicMass	530.983275
CLogP	4.6166
CLogS	-7.001
H Acceptors	9
H Donors	1
TotalSurfaceArea	355.98
Relative PSA	0.27943
PolarSurfaceArea	122.81
Druglikeness	-2.8167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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