[3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C22H15N3O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C22H15N3O6Br2
Smiles	[O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\c1cc(OC(c(cccc2)c2Br)=O)ccc1)=O)=O
InChI	InChI=1S/C22H15Br2N3O6/c23-18-7-2-1-6-17(18)22(29)33-16-5-3-4-14(10-16)12-25-26-21(28)13-32-20-9-8-15(27(30)31)11-19(20)24/h1-12H,13H2,(H,26,28)
InChIK	WFBDSWATYPQOFJ-UHFFFAOYSA-N
TotalMolweight	577.184
Molweight	577.184
MonoisotopicMass	574.932759
CLogP	4.7358
CLogS	-7.099
H Acceptors	9
H Donors	1
TotalSurfaceArea	359.19
Relative PSA	0.27693
PolarSurfaceArea	122.81
Druglikeness	-2.8759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
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
AcidicOxygens	1
StereoCon

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1 - [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

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