[2-bromo-4-nitro-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C22H12N3O6Br5 Mutagenic:low Tumorigenic:none Reproductive Effective:high [2-bromo-4-nitro-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[2-bromo-4-nitro-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormula	C22H12N3O6Br5
Smiles	[O-][N+](c(cc1Br)cc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1OC(c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C22H12Br5N3O6/c23-13-3-1-11(2-4-13)22(32)36-20-12(5-15(30(33)34)8-18(20)27)9-28-29-19(31)10-35-21-16(25)6-14(24)7-17(21)26/h1-9H,10H2,(H,29,31)
InChIK	UXCFFWKLKTWXGI-UHFFFAOYSA-N
TotalMolweight	813.872
Molweight	813.872
MonoisotopicMass	808.664292
CLogP	6.9114
CLogS	-9.601
H Acceptors	9
H Donors	1
TotalSurfaceArea	415.08
Relative PSA	0.23964
PolarSurfaceArea	122.81
Druglikeness	-2.8759
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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