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

Formula:C22H14N3O6Br2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-bromo-2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormula	C22H14N3O6Br2Cl
Smiles	[O-][N+](c(cc(cc1)Cl)c1OCC(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O)=O)=O
InChI	InChI=1S/C22H14Br2ClN3O6/c23-15-3-1-13(2-4-15)22(30)34-19-7-5-16(24)9-14(19)11-26-27-21(29)12-33-20-8-6-17(25)10-18(20)28(31)32/h1-11H,12H2,(H,27,29)
InChIK	VKKKBWFIHARCBK-UHFFFAOYSA-N
TotalMolweight	611.629
Molweight	611.629
MonoisotopicMass	608.893786
CLogP	5.3418
CLogS	-7.835
H Acceptors	9
H Donors	1
TotalSurfaceArea	374.61
Relative PSA	0.26553
PolarSurfaceArea	122.81
Druglikeness	-2.8167
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
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	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | [4-bromo-2-[(Z)-[[2-(4-chloro-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments