[3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C22H14N3O6Br3 Mutagenic:low Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H14N3O6Br3
Smiles	[O-][N+](c(cc1)ccc1C(Oc1cccc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1)=O)=O
InChI	InChI=1S/C22H14Br3N3O6/c23-15-9-18(24)21(19(25)10-15)33-12-20(29)27-26-11-13-2-1-3-17(8-13)34-22(30)14-4-6-16(7-5-14)28(31)32/h1-11H,12H2,(H,27,29)
InChIK	XZWQAKMFYHKVOS-UHFFFAOYSA-N
TotalMolweight	656.08
Molweight	656.08
MonoisotopicMass	652.84327
CLogP	5.461
CLogS	-7.933
H Acceptors	9
H Donors	1
TotalSurfaceArea	377.82
Relative PSA	0.26327
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	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Request More Details | [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments